SCHEMBL5033468

SCHEMBL5033468

C=Cc1ccc(CCC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
THRB P10828 4/20 0.34
THRA P10827 2/20 0.34
RIPK1 Q13546 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TNNC1 P63316 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARA Q07869 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
SCHEMBL22113055 0.84 ALDH1A1 (0.42) ALDH1A1TSHRHDAC8THRBTHRA
SCHEMBL5199670 0.82 ALDH1A1 (0.41) ALDH1A1TSHRHDAC8THRBCHRNB2
SCHEMBL50012 0.79 ALDH1A1 (0.65) ALDH1A1TSHRHDAC8THRBTHRA
SCHEMBL1647493 0.79 ALDH1A1 (0.65) ALDH1A1TSHRHDAC8THRBTHRA
SCHEMBL17103339 0.79 CYP2A6 (0.43) ALDH1A1MAPT
SCHEMBL1611980 0.78 THRA (0.53) ALDH1A1TSHRHDAC8THRBTHRA
SCHEMBL11109633 0.78 KCNH2 (0.46) ALDH1A1TSHRCA1CA2TP53
SCHEMBL5039090 0.77 TP53 (0.46) ALDH1A1TSHRHDAC8RIPK1TDP1
SCHEMBL14573255 0.76 TNNC1 (0.40) ALDH1A1THRBTNNC1TAS1R3TAS1R1
SCHEMBL52038 0.76 ALDH1A1 (0.52) ALDH1A1TSHRHDAC8THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182677-A1 Curable Compositions AGC Multi Material America, Inc. 2024-06-06 US disclosed
CN-118047914-A Curable composition AGC多材料美国有限公司 2024-05-17 CN disclosed
CN-116940608-A Curable composition AGC多材料美国有限公司 2023-10-24 CN disclosed
WO-2023164430-A1 CURABLE COMPOSITIONS AGC Multi Material America, Inc. (US) 2023-08-31 WO disclosed
US-20230265275-A1 Curable Compositions AGC Multi Material America, Inc. 2023-08-24 US disclosed
US-7402645-B2 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20070155923-A1 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-07-05 US disclosed
US-6900273-B1 Low-hygroscopicity low-birefringence resin compositions, molding material obtained therefrom, sheet or film, and optical part HITACHI CHEMICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20040220342-A1 Low-hygroscopicity low-birefringence resin compositions, molding material, sheet or film obtained therefrom, and optical part YAMASHITA YUKIHIKO (JP) 2004-11-04 US disclosed
EP-1205517-A1 LOW-HYGROSCOPICITY LOW-BIREFRINGENCE RESIN COMPOSITIONS, MOLDING MATERIAL OBTAINED THEREFROM, SHEET OR FILM, AND OPTICAL PART HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-05-15 EP disclosed