SCHEMBL7583432

SCHEMBL7583432

C=C(C)C(=O)OC(C)(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.36
GAA P10253 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL14477462 0.90 TSHR (0.39) ALDH1A1TSHRTHRB
SCHEMBL1371760 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL1108024 0.82 TSHR (0.43) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL1355618 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRBGAA
SCHEMBL14509514 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRBGAATDP1
Ammonia Solution, Strong SCHEMBL7724540 0.80 TSHR (0.42) ALDH1A1TSHRTHRBGAA
SCHEMBL10477043 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1
SCHEMBL1108011 0.78 TSHR (0.41) ALDH1A1TSHRTHRBGAA
SCHEMBL14509373 0.78 ALDH1A1 (0.44) ALDH1A1TSHRTHRBGAA
SCHEMBL12265669 0.78 TSHR (0.41) ALDH1A1TSHRTHRBGAA

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-0653470-B2 Physically drying water-borne coating composition and its use DU PONT (US) 2002-10-02 EP disclosed
EP-0653470-B1 Physically drying water-borne coating composition and its use HERBERTS & CO GMBH (DE) 1999-01-27 EP disclosed
US-5691425-A Polyurethane dispersions HOECHST AG (DE) 1997-11-25 US disclosed
EP-0522419-B1 Polyurethane dispersions HOECHST AG (DE) 1996-05-22 EP disclosed
EP-0653470-A2 Physically drying water-borne coating composition and its use Herberts Gesellschaft mit beschränkter Haftung (DE) 1995-05-17 EP disclosed
EP-0522419-A1 Polyurethane dispersions HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-13 EP disclosed