SCHEMBL5034599

SCHEMBL5034599

C=Cc1ccc(CCC(C)CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CHRNB2 P17787 2/20 0.38
CHRNA6 Q15825 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
CA1 P00915 2/20 0.33
CA2 P00918 2/20 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
THRB P10828 3/20 0.33
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32
ADRB2 P07550 1/20 0.31
THRA P10827 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
SCHEMBL5034577 0.82 ALDH1A1 (0.46) ALDH1A1CHRNB2TAS1R3TAS1R1CA1
SCHEMBL1979236 0.82 CHRNB2 (0.38) CHRNB2CHRNA6TSHRADRB2
Ammonia Solution, Strong SCHEMBL28631585 0.81 ALDH1A1 (0.41) ALDH1A1CHRNB2TAS1R3TAS1R1CA1
SCHEMBL5039083 0.81 ALDH1A1 (0.44) ALDH1A1CHRNB2TAS1R3TAS1R1CA1
SCHEMBL2638242 0.81 ALDH1A1 (0.44) ALDH1A1CHRNB2TAS1R3TAS1R1CHRNB4
SCHEMBL3903660 0.80 ALDH1A1 (0.39) ALDH1A1CHRNB2TAS1R3TAS1R1CA1
SCHEMBL5031531 0.80 TP53 (0.42) ALDH1A1CHRNB2CHRNA6TSHR
SCHEMBL28390815 0.79 ALDH1A1 (0.42) ALDH1A1CHRNB2TAS1R3TAS1R1CA1
SCHEMBL28383696 0.78 TAAR1 (0.48) ALDH1A1CHRNB2CHRNA6TSHR
SCHEMBL6284836 0.78 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1HDAC8TSHR

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