Benzonitrile

Benzonitrile

SCHEMBL528409

F[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Pd+2]

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
MAOB P27338 4/20 0.48
MAOA P21397 3/20 0.48
APP P05067 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
MAPT P10636 2/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzonitrile SCHEMBL30317661 1.00 TSHR (0.74) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL28450139 0.97 TSHR (0.78) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL28179939 0.97 TSHR (0.78) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL14761846 0.97 TSHR (0.78) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL2677758 0.97 TSHR (0.78) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL1021617 0.95 TSHR (0.74) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL16950016 0.95 TSHR (0.74) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL28261821 0.92 TSHR (0.70) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL8355836 0.87 TSHR (0.56) TSHRMAOBMAOAALDH1A1CYP2A6
Benzonitrile SCHEMBL3473848 0.86 TSHR (0.88) TSHRMAOBMAOAAPPALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112469737-A Process for producing hydrogenated nitrile rubber and HNBR compositions thereof 阿朗新科德国有限责任公司 2021-03-09 CN claimed
CN-112469737-A Process for producing hydrogenated nitrile rubber and HNBR compositions thereof 阿朗新科德国有限责任公司 2021-03-09 CN disclosed
US-10781270-B2 Method of production of highly saturated nitrile rubber ZEON CORPORATION (JP) 2020-09-22 US disclosed
EP-3252084-B1 METHOD FOR PRODUCING HIGHLY SATURATED NITRILE RUBBER ZEON CORP (JP) 2019-08-28 EP disclosed
US-20180016360-A1 METHOD OF PRODUCTION OF HIGHLY SATURATED NITRILE RUBBER ZEON CORPORATION (JP) 2018-01-18 US disclosed
EP-3252084-A1 METHOD FOR PRODUCING HIGHLY SATURATED NITRILE RUBBER Zeon Corporation (JP) 2017-12-06 EP disclosed
EP-2598537-B1 HYDROGENATION OF DIENE-BASED POLYMERS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-05-03 EP disclosed
US-9371403-B2 Hydrogenation of diene-based polymers LANXESS DEUTSCHLAND GMBH (DE) 2016-06-21 US disclosed
US-9085521-B2 Catalyst system and process for converting glycerol to lactic acid UNIVERSITY OF KANSAS (US) 2015-07-21 US disclosed
US-20130331524-A1 HYDROGENATION OF DIENE-BASED POLYMERS LANXESS DEUTSCHLAND GMBH (DE) 2013-12-12 US disclosed
EP-2598537-A2 HYDROGENATION OF DIENE-BASED POLYMERS Lanxess Deutschland GmbH (DE) 2013-06-05 EP disclosed
US-20120253067-A1 Catalyst System and Process for Converting Glycerol to Lactic Acid UNIVERSITY OF KANSAS 2012-10-04 US disclosed
WO-2012013697-A2 HYDROGENATION OF DIENE-BASED POLYMERS LANXESS DEUTSCHLAND GMBH (DE) 2012-02-02 WO disclosed
US-7923514-B2 such as acrylonitrile-butadiene copolymer, using as hydrogenation catalyst a platinum group metal or its compound, and a basic compound ZEON CORPORATION (JP) 2011-04-12 US disclosed
US-20080132649-A1 METHOD OF HYDROGENATING CONJUGATED DIENE POLYMER, HYDROGENATION CATALYST SYSTEM, AND COMPOSTION OF BASIC, CONJUGATED DIENE POLYMER ZEON CORPORATION 2008-06-05 US disclosed
US-20080125556-A1 Copolymerizing two norbornene monomers, one having a pendant trimethylsilyl or timethylsilylmethyl group, and the other having optional pendant halogen or alkyl groups in the presence of a palladium-based multicomponent catalyst containing palladium, phosphorus, ionic boron and ionic aluminum compounds JSR CORPORATION (JP) 2008-05-29 US disclosed
US-5169901-A Catalyzing in presence of high molecular complex of palladium compound and a nitrile grop-containing polymer NIPPON ZEON CO., LTD. (JP) 1992-12-08 US disclosed
US-5164457-A Palladium catalyst NIPPON ZEON CO., LTD. (JP) 1992-11-17 US disclosed
US-5128297-A Catalysis with palladium compound and acrylonitrile-conjugated diene polymer complex NIPPON ZEON CO., LTD. (JP) 1992-07-07 US disclosed
US-4451665-A Process for dimerizing acrylates and methacrylates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120253067-A1 Catalyst System and Process for Converting Glycerol to Lactic Acid GK, LDHA, LIPA TSHR 3820/4885MAOB 580/4885MAOA 374/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.