SCHEMBL3908247

SCHEMBL3908247

CC(C(=O)O)=C(Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.48
CES2 O00748 4/20 0.48
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
AKR1C3 P42330 1/20 0.43
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 2/20 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
SCHEMBL9358951 1.00 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL7351069 0.79 TSHR (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL367456 0.78 CES1 (0.54) CES1CES2TSHRALDH1A1DAO
SCHEMBL1232452 0.78 CES1 (0.54) CES1CES2TSHRALDH1A1DAO
SCHEMBL367453 0.78 CES1 (0.54) CES1CES2TSHRALDH1A1DAO
SCHEMBL9253270 0.77 TAS1R3 (0.40) TSHRALDH1A1AKR1C3L3MBTL1KMT2A
SCHEMBL5072437 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL1562534 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL1562541 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL8104960 0.76 CES1 (0.48) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090087753-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL, PRODUCTION PROCESS THEREFOR, AND RECORDED MATERIAL TOAGOSEI CO., LTD. (JP) 2009-04-02 US claimed
US-4065428-A Polymethylmethacrylate based molding compositions MONSANTO COMPANY (US) 1977-12-27 US claimed
WO-2022114134-A1 COMPOSITION FOR RESIST UNDERLAYER FILM FORMATION 日産化学株式会社 2022-06-02 WO disclosed
WO-2022114132-A1 SILICON-CONTAINING RESIST UNDERLYAER FILM FORMING COMPOSITION 日産化学株式会社 2022-06-02 WO disclosed
WO-2022045270-A1 METHOD FOR PURIFYING COMPOUND OR POLYMER 三菱瓦斯化学株式会社 2022-03-03 WO disclosed
CN-102428523-B Electrically sheet material and manufacture method thereof LG HAUSYS, LTD. (KR) 2016-04-13 CN disclosed
CN-102428523-A Conductive flooring material and method for producing same LG HAUSYS LTD 2012-04-25 CN disclosed
US-20090087753-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL, PRODUCTION PROCESS THEREFOR, AND RECORDED MATERIAL TOAGOSEI CO., LTD. (JP) 2009-04-02 US disclosed