SCHEMBL4461644

SCHEMBL4461644

O=C(O)C(=C(O)O)C(O)(O)Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
ATM Q13315 1/20 0.39
ALOX5 P09917 1/20 0.39
PTPN1 P18031 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.37
RIPK1 Q13546 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL27411482 0.75 ALDH1A1 (0.44) ALDH1A1ATMALOX5TSHRHSD17B10
SCHEMBL9342693 0.73 ALDH1A1 (0.40) ALDH1A1ATMALOX5PTPN1TSHR
SCHEMBL6565710 0.71 ALDH1A1 (0.41) ALDH1A1ATMALOX5PTPN1TSHR
SCHEMBL3174802 0.70 RIPK1 (0.50) ALDH1A1ATMALOX5TSHRHSD17B10
SCHEMBL8515456 0.69 ALDH1A1 (0.46) ALDH1A1ATMALOX5TSHRHSD17B10
Furfuryl Alcohol SCHEMBL11761630 0.69 ATM (0.50) ALDH1A1ATMALOX5PTPN1TSHR
SCHEMBL12812535 0.69 ALDH1A1 (0.46) ALDH1A1ALOX5TSHRKDM4EGAA
Bicarbonate SCHEMBL29658892 0.68 ALDH1A1 (0.52) ALDH1A1ATMALOX5PTPN1TSHR
SCHEMBL8569587 0.68 GAA (0.41) ALDH1A1ALOX5TSHRKDM4EGAA
SCHEMBL28099582 0.67 ALDH1A1 (0.42) ALDH1A1ALOX5KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333186-B1 Photosensitive lithographic plate necessitating no dampening water FUJI PHOTO FILM CO LTD (JP) 1994-06-15 EP claimed
US-20190153164-A1 CURABLE SEALANT COMPOSITION BASF CORPORATION 2019-05-23 US disclosed
EP-3440147-A1 CURABLE SEALANT COMPOSITION BASF SE (DE) 2019-02-13 EP disclosed
WO-2017177089-A1 CURABLE SEALANT COMPOSITION BASF SE (DE) 2017-10-12 WO disclosed
US-9109127-B2 Ink composition, image forming method, and printed article using the same FUJIFILM CORPORATION (JP) 2015-08-18 US disclosed
US-20130208045-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED ARTICLE USING THE SAME FUJIFILM CORPORATION (JP) 2013-08-15 US disclosed
US-20090012198-A1 Ultraviolet Ray Curing Type Resin Composition HONDA MOTOR CO LTD. (JP) 2009-01-08 US disclosed