SCHEMBL342170

SCHEMBL342170

CCC(C)c1cc(Cc2cc(C(C)CC)c(N)c(C(C)CC)c2)cc(C(C)CC)c1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RORC P51449 1/20 0.35
AR P10275 1/20 0.35
DHFR P00374 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 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
SCHEMBL9682126 0.89 AR (0.36) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL10661127 0.89 POLB (0.37) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL9456464 0.89 TSHR (0.43) TSHR
SCHEMBL3471927 0.87 POLB (0.34) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL9681459 0.85 POLB (0.37) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL30358470 0.83 GAA (0.35) GAADHFR
SCHEMBL30358484 0.81 DHFR (0.31) DHFR
SCHEMBL30358474 0.80 BDKRB2 (0.31) GAA
SCHEMBL11415140 0.80 TSHR (0.39) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL101727 0.79 DHFR (0.41) TSHRALDH1A1GAADHFRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861060-B1 Personal care formulations KARMALI, RASHIDA A. 2005-03-01 US claimed
US-20240343941-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-10-17 US disclosed
EP-4380990-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-06-12 EP disclosed
WO-2023012000-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2023-02-09 WO disclosed
CN-112384545-B Elastomeric polyurethane foams and process for producing the same 巴斯夫欧洲公司 2023-01-24 CN disclosed
US-20220340704-A1 SPRAY POLYURETHANE ELASTOMERS AND METHODS FOR PRODUCING THE SAME BASF SE (DE) 2022-10-27 US disclosed
EP-4038126-A1 SPRAY POLYURETHANE ELASTOMERS AND METHODS FOR PRODUCING THE SAME BASF SE (DE) 2022-08-10 EP disclosed
CN-114555672-A Spray-coated polyurethane elastomer and production method thereof 巴斯夫欧洲公司 2022-05-27 CN disclosed
EP-3818094-A1 ELASTOMERIC POLYURETHANE FOAMS AND METHODS FOR PRODUCING THE SAME BASF SE (DE) 2021-05-12 EP disclosed
WO-2021067344-A1 SPRAY POLYURETHANE ELASTOMERS AND METHODS FOR PRODUCING THE SAME BASF SE (DE) 2021-04-08 WO disclosed
US-4778830-A POLY(UREA)URETHANE ELASTOMER BASF AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
US-4731392-A Process for the preparation of polyester polyols, based on 2-methyl-1,4-butanediol, which are liquid at room temperature, and their use for the preparation of plastic materials BASF AKTIENGESELLSCHAFT (DE) 1988-03-15 US disclosed
US-4703100-A Process for the production of polyisocyanates containing urea and/or biuret groups, preparations obtainable thereby and their use BAYER AKTIENGESELLSCHAFT (DE) 1987-10-27 US disclosed
US-4698371-A REACTION INJECTION MOLDING BASF AKTIENGESELLSCHAFT (DE) 1987-10-06 US disclosed
US-4677136-A MOLDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
US-4636531-A REACTION INJECTION MOLDING, CHAIN EXTENSION, STERIC HINDRANCE, PRIMARY AROMATIC DIAMINE BASF AKTIENGESELLSCHAFT (DE) 1987-01-13 US disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed
US-4595705-A Using as polyol 95 to 60 percent conventional polyol and 5 to 40 percent aromatic polyester polyol BASF AKTIENGESELLSCHAFT (DE) 1986-06-17 US disclosed
US-4581387-A REACTION PRODUCT OF MONTANIC ACID AND TEN OR MORE CARBON ATOMS CARBOXYLIC ACID AND POLYOL, ALKANOLAMINE, OR POLYAMINE BASF AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed
US-4581432-A POLYURETHANE, POLYURETH, POLYISOCYANURATE MOLDING MATERIALS, DEACTIVATION BASF AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed