SCHEMBL4887159

SCHEMBL4887159

C=CCOC(=O)C(C)=CC#N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 2/20 0.39
PTP4A1 Q93096 2/20 0.39
PTP4A2 Q12974 1/20 0.39
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PLK1 P53350 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5001901 0.79 ALDH1A1 (0.48) PTP4A1TSHRCYP3A4TDP1MAPT
SCHEMBL14576672 0.79 ALDH1A1 (0.48) PTP4A1TSHRCYP3A4TDP1MAPT
SCHEMBL12364286 0.79 ALDH1A1 (0.48) PTP4A1TSHRCYP3A4TDP1MAPT
SCHEMBL45287 0.78 TSHR (0.41) PTP4A3PTP4A1PTP4A2TSHRCYP3A4
SCHEMBL524629 0.78 TSHR (0.41) PTP4A3PTP4A1PTP4A2TSHRCYP3A4
SCHEMBL9241885 0.78 TSHR (0.41) PTP4A3PTP4A1PTP4A2TSHRCYP3A4
Acrylonitrile SCHEMBL10815857 0.78 TSHR (0.46) PTP4A3PTP4A1PTP4A2TSHRCYP3A4
SCHEMBL175302 0.76 TSHR (0.40) PTP4A3PTP4A1PTP4A2TSHRCYP3A4
Acrylamide SCHEMBL11583021 0.76 ALDH1A1 (0.43) PTP4A1TSHRCYP3A4TDP1MAPT
SCHEMBL9805797 0.76 HCAR2 (0.37) TSHRTDP1ALDH1A1PLK1

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-7410750-B2 Multicolored photochromic display XEROX CORPORATION (US) 2008-08-12 US claimed
US-20060001944-A1 Multicolored photochromic display XEROX CORPORATION 2006-01-05 US claimed
US-6458165-B1 FIRST POLYMER IN WHICH IS DISPERSED A CHELATING AGENT AND A PHOTOCHROMIC SPIROPYRAN AND ENCAPSULATED WITHIN A SHELL OF A SECOND POLYMER FORMULATED BY AN INTERFACIAL POLYMERIZATION. XEROX CORPORATION 2002-10-01 US claimed
US-6365312-B1 CORE CONTAINING FIRST POLYMER IN WHICH IS DISPERSED METAL SALT CHELATING AGENT AND PHOTOCHROMIC SPIROPYRAN AND ENCAPSULATED WITHIN A SHELL OF SECOND POLYMER FORMULATED BY AN INTERFACIAL POLYMERIZATION; ELECTROGRAPHIC TONERS XEROX CORPORATION 2002-04-02 US claimed
US-20230114903-A1 BINDER COMPOSITION FOR SECONDARY BATTERY GRST SINGAPORE PTE. LTD. (SG) 2023-04-13 US disclosed
WO-2021253674-A1 BINDER COMPOSITION FOR SECONDARY BATTERY GUANGDONG HAOZHI TECHNOLOGY CO. LIMITED (CN) 2021-12-23 WO disclosed
US-7410750-B2 Multicolored photochromic display XEROX CORPORATION (US) 2008-08-12 US disclosed
US-20060001944-A1 Multicolored photochromic display XEROX CORPORATION 2006-01-05 US disclosed