SCHEMBL7706050

SCHEMBL7706050

BrCc1ccc(B2OCCO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL4374187 0.81 LPL (0.30) LPLLIPG
SCHEMBL7860803 0.79 TRPA1 (0.42) TRPA1ALDH1A1TSHRLPLLIPG
SCHEMBL3871815 0.79 SNCA (0.40) TRPA1ALDH1A1TSHRLPLLIPG
SCHEMBL14986008 0.78 TSHR (0.37) TSHRLPLLIPG
SCHEMBL14983354 0.75 CYP2A6 (0.40) ALDH1A1
SCHEMBL890386 0.74 LPL (0.40) LPLLIPG
SCHEMBL4262348 0.74 LPL (0.40) LPLLIPG
SCHEMBL14176040 0.72 TRPA1 (0.36) TRPA1ALDH1A1TSHRLPLLIPG
SCHEMBL7709040 0.72 LPL (0.40) LPLLIPG
SCHEMBL10019962 0.71 LPL (0.35) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644188-B1 Process for the preparation of sulfur derivatives of imidazole and intermediates obtained AVENTIS PHARMA SA (FR) 2002-12-04 EP claimed
EP-0644188-A1 Process for the preparation of sulfur derivatives of imidazole and intermediates obtained ROUSSEL UCLAF (FR) 1995-03-22 EP claimed
CN-114195814-B Hydroxy naphthalenone-phenylboronic acid compound, preparation method and application 中国药科大学 2023-07-21 CN disclosed
CN-114195814-A Hydroxy naphthalenone-phenylboronic acid compound, preparation method and application 中国药科大学 2022-03-18 CN disclosed
CN-110156822-B Naphthol-phenylboronic acid compound and preparation method and application thereof 中国药科大学 2021-07-09 CN disclosed
EP-0644188-B1 Process for the preparation of sulfur derivatives of imidazole and intermediates obtained AVENTIS PHARMA SA (FR) 2002-12-04 EP disclosed
US-5493046-A A 1-((4-PHENYL)PHENYL)-METHYLENE)IMIDAZOLE ROUSSEL-UCLAF (FR) 1996-02-20 US disclosed
EP-0644188-A1 Process for the preparation of sulfur derivatives of imidazole and intermediates obtained ROUSSEL UCLAF (FR) 1995-03-22 EP disclosed
US-5391732-A Cardiotonic agents, hypotensive agents, antispasmodic agents ROUSSEL-UCLAF (FR) 1995-02-21 US disclosed