SCHEMBL7795485

SCHEMBL7795485

C=CCC(CC=C)(C(=O)O)C(CC=C)(C(=O)O)C(CC=C)(CC(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL29901361 0.86 ALDH1A1 (0.39) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL1651259 0.84 ALDH1A1 (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL30390434 0.69 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL8846265 0.69 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL16823397 0.69 ALDH1A1 (0.39) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL8815411 0.69 ALDH1A1 (0.39) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL15288868 0.68 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL13347361 0.68 ALDH1A1 (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL11351345 0.67 ALDH1A1 (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL9493470 0.67 ALDH1A1 (0.38) ALDH1A1TSHR

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
EP-0873433-B1 PROCESS FOR THE PREPARATION OF TETRAALKYL 1,2,3,4-BUTANETETRACARBOXYLATES SOLUTIA INC (US) 2001-12-12 EP claimed
EP-0433260-B1 Process for preparing butanetetracarboxylate MONSANTO CO (US) 1998-03-18 EP claimed
CN-110023406-B Composition for laminate 株式会社大阪曹达 2022-09-09 CN disclosed
CN-107001631-B Active energy ray-curable composition and use thereof 昭和电工株式会社 2021-03-23 CN disclosed
CN-111032716-B Unsaturated polyester resin composition 株式会社大阪曹达 2021-02-05 CN disclosed
CN-111032716-A Unsaturated polyester resin composition 株式会社大阪曹达 2020-04-17 CN disclosed