SCHEMBL7665289

SCHEMBL7665289

C=C(C)C(=O)OCCC1(C(=O)OCC2CO2)CCCCC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.39
CYP3A4 P08684 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
SCHEMBL8849209 0.84 TP53 (0.36) ALDH1A1TP53CYP3A4
SCHEMBL15253486 0.83 THRB (0.36) ALDH1A1
SCHEMBL36216 0.83 THRB (0.36) ALDH1A1
SCHEMBL16027798 0.81 THRB (0.31) ALDH1A1
SCHEMBL7663820 0.77 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4
SCHEMBL5443893 0.76 TSHR (0.39) ALDH1A1
SCHEMBL5447282 0.75 TSHR (0.41) ALDH1A1
SCHEMBL1005227 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL30575200 0.73 TP53 (0.45) ALDH1A1TP53CYP3A4
SCHEMBL1006238 0.72 THRB (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492454-B1 HAVING HIGH ADHESIVENESS TO METAL, HIGH MODULUS, HIGH SET RESISTANCE AND HIGH HEAT RESISTANCE, COMPRISING RAW MATERIAL RUBBER, 2,4-DIMERCAPTO-6-SUBSTITUTED-1,3,5-TRIAZINE AND A POLYMER HAVING EPOXY GROUPS CROSSLINKABLE WITH THE RUBBER THE YOKOHAMA RUBBER CO., LTD. (JP) 2002-12-10 US disclosed
EP-0593769-B1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO (JP) 1997-10-22 EP disclosed
US-5541258-A CROSSLINKED ACRYLATE COPOLYMER RUBBERS WITH CARBOXY GROUPS AND EPOXY GROUPS NIPPON ZEON CO., LTD. (JP) 1996-07-30 US disclosed
EP-0594854-B1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO (JP) 1996-05-29 EP disclosed
EP-0594854-A1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1994-05-04 EP disclosed
EP-0593769-A1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1994-04-27 EP disclosed