SCHEMBL5374375

SCHEMBL5374375

CCCCO[C](OCCCC)OCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
ATM Q13315 1/20 0.52
TSHR P16473 6/20 0.48
HPGD P15428 1/20 0.48
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
NAAA Q02083 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL616777 0.91 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDCA12
SCHEMBL617517 0.81 TSHR (0.45) ALDH1A1ATMTSHRHPGDCA12
SCHEMBL11521868 0.80 ALDH1A1 (0.57) ALDH1A1ATMTSHRHPGDCA12
SCHEMBL5373233 0.79 HCAR2 (0.40) ALDH1A1ATMTSHRHPGDCA12
SCHEMBL440907 0.78
SCHEMBL1527699 0.78 ALDH1A1 (0.62) ALDH1A1ATMTSHRHPGDCA12
SCHEMBL137155 0.75 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL9720411 0.75 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDCA12
SCHEMBL6577991 0.75 CA12 (0.54) ALDH1A1ATMTSHRHPGDCA12
SCHEMBL5501929 0.75 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDHCAR2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US claimed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US claimed
CN-116970337-A Photo-curing self-repairing fluorine-silicon super-hydrophobic coating and preparation method and application thereof 常州大学 2023-10-31 CN disclosed
CN-112142771-B Recovery method of ketoxime hydrochloride and corresponding ketoxime silane production method 江苏艾科维科技有限公司 2023-05-05 CN disclosed
CN-114174350-A Conjugated diene polymer, branching agent, method for producing conjugated diene polymer, oil-extended conjugated diene polymer, rubber composition, and tire 旭化成株式会社 2022-03-11 CN disclosed
WO-2021215186-A1 COMPOSITION CONTAINING ORGANOPOLYSILOXANE, PRODUCTION METHOD THEREFOR, COATING MATERIAL, AND COATED ARTICLE 信越化学工業株式会社 (JP) 2021-10-28 WO disclosed
CN-113493542-A Conjugated diene polymer, method for producing same, conjugated diene polymer composition, and rubber composition 旭化成株式会社 2021-10-12 CN disclosed
CN-107936162-B Ultra-high molecular weight polyethylene, method for producing same and use thereof 中国石化扬子石油化工有限公司 2021-03-26 CN disclosed
CN-106415244-B Reactive marker compounds and uses thereof 中央研究院 2020-04-24 CN disclosed
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
WO-2007023998-A1 HALOGENATED POLYAMIDE ACID COMPOSITION AND ITS APPLICATIONS NIPPON SHOKUBAI CO., LTD. (JP) 2007-03-01 WO disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed
US-4035512-A Aminotetralols TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-12 US disclosed