SCHEMBL4887157

SCHEMBL4887157

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
PTP4A3 O75365 2/20 0.37
PTP4A1 Q93096 2/20 0.37
CYP3A4 P08684 1/20 0.35
PTP4A2 Q12974 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MCL1 Q07820 1/20 0.32
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL29229757 0.82 CYP3A4 (0.36) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL7836120 0.82 MAPT (0.38) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL338964 0.78
SCHEMBL30940 0.76 TSHR (0.59) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL2580163 0.76 ALDH1A1 (0.59) MAPTTSHRALDH1A1MCL1HSD17B10
SCHEMBL2549360 0.75 CYP3A4 (0.39) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL1066639 0.75 MAPT (0.41) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL175301 0.75 CYP3A4 (0.39) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL10204622 0.74 TSHR (0.38) TSHRALDH1A1MCL1
SCHEMBL1101403 0.74 CYP3A4 (0.38) MAPTCACNA1BAPBA1PTP4A3PTP4A1

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