Isonicotinonitrile

Isonicotinonitrile

SCHEMBL1135040

Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.N#Cc1cc[nH+]cc1

nearest known ligand 0.33

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ CYP2A6 P11509 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL577736 0.76 HDAC8 (0.67) TSHRHDAC8CYP2A6ALDH1A1CA12
Isonicotinonitrile SCHEMBL8987889 0.71 TSHR (0.50) TSHRCYP2A6ALDH1A1CA12CA2
SCHEMBL4830472 0.70 CA1 (0.41) TSHRALDH1A1CA12CA2CA9
Pyridine SCHEMBL1135155 0.70 — —
SCHEMBL30732604 0.69 — —
SCHEMBL3917579 0.69 — —
SCHEMBL6274368 0.68 HDAC8 (0.34) HDAC8CYP2A6
SCHEMBL1135060 0.67 CHKA (0.41) TSHRCYP2A6ALDH1A1KDM4E
Acetonitrile SCHEMBL30588827 0.67 — —
Acetonitrile SCHEMBL985628 0.67 — —

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444134-A Using a coordination catalyst IDEMITSU KOSAN CO., LTD. (JP) 1995-08-22 — — US claimed
EP-1880986-B1 PROCESS FOR PRODUCING SATURATED ALIPHATIC HYDROCARBONS, AND LUBRICANT COMPOSITIONS THEREOF IDEMITSU KOSAN CO (JP) 2013-03-06 — — EP disclosed
US-8373011-B2 Used in a base oil of lubricant having good low temperature fluidity, low evaporativity, and thermal stability and oxidation stability IDEMITSU KOSAN CO., LTD. (JP) 2013-02-12 — — US disclosed
US-20130023705-A1 LUBRICANT COMPOSITION FOR AN INTERNAL COMBUSTION ENGINE IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 — — US disclosed
EP-0513380-B2 PROCESS FOR PRODUCING OLEFINIC POLYMER IDEMITSU KOSAN CO (JP) 2011-02-23 — — EP disclosed
EP-1681333-B1 HEAT-STORAGE MATERIAL COMPOSITION IDEMITSU KOSAN CO (JP) 2010-04-21 — — EP disclosed
EP-0818472-B2 Cyclic olefin copolymers, compositions and molded articles comprising the copolymers IDEMITSU KOSAN CO (JP) 2009-07-29 — — EP disclosed
EP-1865007-B1 Propylene polymer and composition containing the same, molded object and laminate comprising these, and processes for producing propylene polymer and composition containing the same IDEMITSU KOSAN CO (JP) 2009-03-25 — — EP disclosed
US-20080146469-A1 Process for producing saturated aliphatic hydrocarbon compound, and lubricant composition IDEMITSU KOSAN CO., LTD. (JP) 2008-06-19 — — US disclosed
EP-1880986-A1 PROCESS FOR PRODUCING SATURATED ALIPHATIC HYDROCARBON COMPOUND, AND LUBRICANT COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2008-01-23 — — EP disclosed
EP-0609452-A1 PROCESS FOR PRODUCING TETRAKISFLUOROPHENYLBORATE IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-08-10 — — EP disclosed
EP-0571987-A2 Process for producing an ethylenic polymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 — — EP disclosed
EP-0572003-A2 Process for producing an ethylenic polymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 — — EP disclosed
EP-0572034-A2 Ethylenic copolymer and ethylenic copolymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 — — EP disclosed
EP-0570931-A2 Styrenic polymer, process for producing same and multi-layer material comprising same IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-11-24 — — EP disclosed
EP-0570932-A2 Styrenic block copolymer and process for producing same IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-11-24 — — EP disclosed
EP-0559108-A1 Graft copolymer, process for production thereof and resin composition containing same IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-09-08 — — EP disclosed
EP-0522581-A1 Process for producing olefin based polymers and olefin polymerization catalyst IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-01-13 — — EP disclosed
EP-0513380-A1 PROCESS FOR PRODUCING OLEFINIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-11-19 — — EP disclosed
EP-0504418-A1 PROCESS FOR PRODUCING CYCLOOLEFIN POLYMER, CYCLOOLEFIN COPOLYMER, AND COMPOSITION AND MOLDING PREPARED THEREFROM IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-23 — — EP 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-20080146469-A1 Process for producing saturated aliphatic hydrocarbon compound, and lubricant composition ALOX15, ALOX12, ALOX15B TSHR 4222/4885HDAC8 4056/4885CYP2A6 740/4885

“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.

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