SCHEMBL8358923

SCHEMBL8358923

[S]c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ TSHR P16473 4/20 0.43
▸ CYP2A6 P11509 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ CYP1A2 P05177 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41

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
SCHEMBL25302086 0.84 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL29350007 0.84 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL27953 0.84 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL2638067 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL17836548 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Bromide SCHEMBL7106161 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Phosphine SCHEMBL6665557 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL18174178 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5487945 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL4268572 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111902738-A Naphthyl-based high refractive index hydrophobic liquids and transmittance restoration agents for liquid lens formulations 康宁股份有限公司 2020-11-06 — — CN claimed
EP-0565593-B1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO CO (US) 1999-03-03 — — EP claimed
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 — — EP claimed
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 — — EP claimed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 — — WO claimed
WO-1992010098-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1992-06-25 — — WO claimed
CN-111902738-B Naphthalene-based high refractive index hydrophobic liquid and transmittance restorative for liquid lens formulation 康宁股份有限公司 2023-06-16 — — CN disclosed
CN-111902738-A Naphthyl-based high refractive index hydrophobic liquids and transmittance restoration agents for liquid lens formulations 康宁股份有限公司 2020-11-06 — — CN disclosed
US-5880066-A COMPOSITION COMPRISING TRIAZOLOPYRIMIDINE SULFONAMIDE HERBICIDE AND OXAZOLIDINE DICHLOROACETAMIDE ANTIDOTE MONSANTO COMPANY (US) 1999-03-09 — — US disclosed
EP-0565593-B1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO CO (US) 1999-03-03 — — EP disclosed
US-5484760-A AMIDES MONSANTO COMPANY (US) 1996-01-16 — — US disclosed
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 — — EP disclosed
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 — — EP disclosed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 — — WO disclosed
WO-1992010098-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1992-06-25 — — WO disclosed
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