SCHEMBL21735

SCHEMBL21735

CC(C)(C)c1cc[c]cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
KIF11 P52732 2/20 0.41
BCHE P06276 13/20 0.40
ACHE P22303 13/20 0.40
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
Water SCHEMBL28104416 1.00 TSHR (0.48) TSHRLMNATYRKIF11BCHE
SCHEMBL27371242 0.97 TSHR (0.46) TSHRLMNATYRKIF11BCHE
SCHEMBL27420151 0.97 TSHR (0.46) TSHRLMNATYRKIF11BCHE
SCHEMBL27719194 0.97 TSHR (0.46) TSHRLMNATYRKIF11BCHE
SCHEMBL27344926 0.97 TSHR (0.46) TSHRLMNATYRKIF11BCHE
SCHEMBL27497107 0.97 TSHR (0.46) TSHRLMNATYRKIF11BCHE
SCHEMBL27962246 0.97 TSHR (0.46) TSHRLMNATYRKIF11BCHE
SCHEMBL27389069 0.97 TSHR (0.46) TSHRLMNATYRKIF11BCHE
SCHEMBL27871078 0.94 TSHR (0.43) TSHRLMNATYRKIF11BCHE
SCHEMBL27593517 0.94 TSHR (0.43) TSHRLMNATYRKIF11BCHE

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

Appears in 43910 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239821-A1 N-ACYL FOSMIDOMYCIN PRODRUG ANALOGS AS NOVEL ANTIINFECTIVE AGENTS THE GEORGE WASHINGTON UNIVERSITY 2024-07-18 US claimed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US claimed
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
CN-118344303-A Benzo [ c ] [1,5] oxazacine compound and synthesis method thereof 江苏师范大学 2024-07-16 CN claimed
CN-111433231-B Method for producing styrene resin and styrene resin molded body 出光兴产株式会社 2024-07-16 CN claimed
CN-118344340-A Quinolinone compound containing 1,2, 4-triazole or 1,3, 4-oxadiazole structure and preparation and application thereof 贵州大学 2024-07-16 CN claimed
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US claimed
CN-118324788-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-07-12 CN claimed
CN-118324823-A Heterofluorene rare earth compound, preparation method thereof and application thereof in olefin polymerization 中国科学院长春应用化学研究所 2024-07-12 CN claimed
CN-118324615-A Preparation method of novel polyfluoroalkyl-substituted olefin 华中师范大学 2024-07-12 CN claimed
US-4036966-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-4036967-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US claimed
US-3992309-A LUBRICANTS AND HYDRAULIC FLUIDS FMC CORPORATION (US) 1976-11-16 US claimed
US-3965220-A AMINE CATALYST MONSANTO COMPANY (US) 1976-06-22 US claimed
US-3962210-A CURING AGENTS, POLYMERIZATION INITIATORS PENNWALT CORPORATION (US) 1976-06-08 US claimed
US-3959332-A N-(2-NITRO-4-ARYLOXYSULFONYL-PHENYL)-ARYLENEDIAMINES, DYES SANDOZ LTD. (CH) 1976-05-25 US claimed
US-3956177-A Rhodium hydroformylation catalyst PHILLIPS PETROLEUM COMPANY (US) 1976-05-11 US claimed
US-3940449-A SOLVENTS, DIELECTRIC FLUIDS THE DOW CHEMICAL COMPANY (US) 1976-02-24 US claimed
US-3931023-A LUBRICANT FMC CORPORATION (US) 1976-01-06 US claimed