SCHEMBL3673158

SCHEMBL3673158

C=C(CC)C(=O)OOC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 6/20 0.35
TSHR P16473 5/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.33

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
Acetaldehyde SCHEMBL5465665 0.92 HSD17B10 (0.34) TDP1HSD17B10ALDH1A1LMNA
SCHEMBL8885527 0.90 ALDH1A1 (0.35) TDP1HSD17B10ALDH1A1TSHRTHRB
SCHEMBL3178006 0.86 ALDH1A1 (0.44) TDP1HSD17B10ALDH1A1TSHRTHRB
SCHEMBL3673160 0.80 TDP1 (0.50) TDP1HSD17B10ALDH1A1TSHRLMNA
SCHEMBL623936 0.79 MGAM (0.43) TDP1HSD17B10ALDH1A1THRB
SCHEMBL197960 0.78
SCHEMBL180796 0.77
SCHEMBL1923846 0.76 ALDH1A1 (0.37) TDP1HSD17B10ALDH1A1TSHRLMNA
SCHEMBL999635 0.76 ALDH1A1 (0.34) ALDH1A1TSHRTHRB
SCHEMBL20840134 0.76 TSHR (0.39) HSD17B10ALDH1A1TSHRTHRB

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-2141145-B1 Efficient and highly enantioselective Rh-catalyzed hydrogenations of unsaturated lactate precursors with chiral bisphospholanes as ligands THYSSENKRUPP UHDE GMBH (DE) 2013-02-20 EP disclosed
WO-2010000354-A1 EFFICIENT AND HIGHLY ENANTIOSELECTIVE RH-CATALYZED HYDROGENATIONS OF UNSATURATED LACTACTE PRECURSORS WITH CHIRAL BISPHOSPHOLANES AS LIGANDS UHDE GMBH (DE) 2010-01-07 WO disclosed
EP-2141145-A1 Efficient and highly enantioselective Rh-catalyzed hydrogenations of unsaturated lactate precursors with chiral bisphospholanes as ligands Uhde GmbH (DE) 2010-01-06 EP disclosed
US-20030232193-A1 Dry film resist and printed circuit board producing method FUJI PHOTO FILM CO., LTD. (JP) 2003-12-18 US disclosed
EP-0960133-A1 WATER-BASED EMULSION POLYMERS WHICH RESIST BLOCKING UNION CARBIDE CORPORATION (US) 1999-12-01 EP disclosed
WO-1998035994-A1 WATER-BASED EMULSION POLYMERS WHICH RESIST BLOCKING UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION ; (US) 1998-08-20 WO disclosed
US-4099376-A AMMONIUM PERCHLORATE THE B.F. GOODRICH COMPANY (US) 1978-07-11 US disclosed