SCHEMBL21457582

SCHEMBL21457582

N#CC(C#N)=C(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
XBP1 P17861 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 2/20 0.39
CA4 P22748 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12106077 0.85 CES2 (0.52) ALDH1A1CES1CES2TSHRDAO
SCHEMBL17765154 0.82 CES2 (0.45) ALDH1A1CES1CES2CA2CA1
SCHEMBL291408 0.81 CYP2C19 (0.43) ALDH1A1CES1CES2TSHRDAO
SCHEMBL434262 0.81 CYP2C19 (0.43) ALDH1A1CES1CES2TSHRDAO
SCHEMBL11230438 0.79 ALDH1A1 (0.40) ALDH1A1CES1CES2TSHRDAO
SCHEMBL124653 0.79 ALDH1A1 (0.40) ALDH1A1CES1CES2TSHRDAO
SCHEMBL523842 0.78 CES1 (0.58) ALDH1A1CES1CES2TSHRDAO
SCHEMBL114583 0.78 CES1 (0.58) ALDH1A1CES1CES2TSHRDAO
SCHEMBL183462 0.78 CES1 (0.58) ALDH1A1CES1CES2TSHRDAO
SCHEMBL12715526 0.77 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1LMNAXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed