SCHEMBL27808385

SCHEMBL27808385

CCc1ccccc1O.[LiH]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.59
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
AKR1B1 P15121 1/20 0.56
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
HIF1A Q16665 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
HTR1A P08908 1/20 0.50
IDO1 P14902 2/20 0.48
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 1/20 0.46
MPO P05164 1/20 0.46
KEAP1 Q14145 1/20 0.46

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
SCHEMBL51108 0.97
SCHEMBL29402855 0.97
SCHEMBL27511484 0.95 HSPA5 (0.59) HSPA5GABRA1GABRB2AKR1B1TSHR
Ammonia Solution, Strong SCHEMBL267493 0.95 HSPA5 (0.59) HSPA5GABRA1GABRB2AKR1B1TSHR
Benzene SCHEMBL27843896 0.95 AKR1B1 (0.62) HSPA5GABRA1GABRB2AKR1B1TSHR
SCHEMBL27541365 0.95 HSPA5 (0.59) HSPA5GABRA1GABRB2AKR1B1TSHR
Propane SCHEMBL27876137 0.95 HSPA5 (0.59) HSPA5GABRA1GABRB2AKR1B1TSHR
SCHEMBL7392161 0.95 HSPA5 (0.59) HSPA5GABRA1GABRB2AKR1B1TSHR
Water SCHEMBL27672138 0.95 HSPA5 (0.59) HSPA5GABRA1GABRB2AKR1B1TSHR
SCHEMBL27712318 0.95 HSPA5 (0.59) HSPA5GABRA1GABRB2AKR1B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119144968-A Method for preparing 4,4' -biphenol compound by electrochemical method 万华化学集团股份有限公司 2024-12-17 CN disclosed
CN-117175032-A Application of organic lithium salt and method for directionally reducing and repairing lithium ion battery anode material 宁波容百新能源科技股份有限公司 2023-12-05 CN disclosed
CN-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed
CN-102666561-A Transition metal complex, preparation method for said transition metal complex, trimerization catalyst, preparation method for 1-hexene, preparation method for ethylene polymer, substituted cyclopentadiene compound, and preparation method for said su SUMITOMO CHEMICAL CO 2012-09-12 CN disclosed
CN-101796060-A Process for preparing dihydrocarbyl hydrocarbonphosphonates ALBEMARLE CORP 2010-08-04 CN disclosed