SCHEMBL2372932

SCHEMBL2372932

C[CH]CC(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.54
AOC3 Q16853 2/20 0.48
TRPA1 O75762 5/20 0.47
RIPK1 Q13546 1/20 0.47
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5852566 0.82 TAAR1 (0.50) TAAR1AOC3TRPA1RIPK1HTR2A
SCHEMBL5852562 0.82 TAAR1 (0.50) TAAR1AOC3TRPA1RIPK1HTR2A
SCHEMBL3715025 0.80 HTR2A (0.46) TAAR1TRPA1HTR2AHRH1LMNA
SCHEMBL1256 0.79 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1
SCHEMBL4314053 0.79 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL25392233 0.79 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL2838538 0.79 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1
SCHEMBL19285046 0.79 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL14191123 0.79 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1
SCHEMBL3022203 0.79 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277200-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. 2021-09-09 US claimed
US-11015034-B2 Malonates and derivatives for in-situ films ZEPHYROS, INC. (US) 2021-05-25 US claimed
US-20190169396-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. 2019-06-06 US claimed
CN-109476955-A Malonic esters and derivatives for in situ membranes 泽费罗斯股份有限公司 2019-03-15 CN claimed
WO-2017184986-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. (US) 2017-10-26 WO claimed
US-20210277200-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. 2021-09-09 US disclosed
US-11015034-B2 Malonates and derivatives for in-situ films ZEPHYROS, INC. (US) 2021-05-25 US disclosed
US-20190169396-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. 2019-06-06 US disclosed
CN-109476955-A Malonic esters and derivatives for in situ membranes 泽费罗斯股份有限公司 2019-03-15 CN disclosed
WO-2017184986-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. (US) 2017-10-26 WO disclosed
EP-2547665-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2013-01-23 EP disclosed
WO-2011113756-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-09-22 WO disclosed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 WO disclosed
EP-0414200-B1 Salts of optically active 4-hydroxy-8-(3-lower alkoxy-4-phenylsulfinylphenyl)pyrazolo [1,5-a]-1,3,5-triazines and a process for production thereof OTSUKA PHARMA CO LTD (JP) 1995-08-02 EP disclosed
CN-1028528-C Salts of optically active 4-hydroxy-8-(3-lower alkoxy-4-phenylsulfinylphenyl) pyrazolo [1,5-a]-1,3,5-triazines OTSUKA PHARMA CO LTD (JP) 1995-05-24 CN disclosed
US-5137887-A Xanthine oxidase inhibitors, antipodagric agents OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1992-08-11 US disclosed
CN-1049664-A Optically active 4-hydroxyl-8-(3-low-alkoxy-4-phenyl sulfinyl phenyl) pyrazolo [1,5-α]-1,3,5-triazines salt and method for making thereof OTSUKA PHARMA CO LTD (JP) 1991-03-06 CN disclosed
EP-0414200-A2 Salts of optically active 4-hydroxy-8-(3-lower alkoxy-4-phenylsulfinylphenyl)pyrazolo [1,5-a]-1,3,5-triazines and a process for production thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-02-27 EP disclosed
US-4136100-A BLUE-VIOLET TO GREEN-BLUE DYEINGS ON CELLULOSE TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed