SCHEMBL10399685

SCHEMBL10399685

C=C(C)C(=O)OCC(O)C(C)CO

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TGFBR1 P36897 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
SCHEMBL8966053 0.89 TSHR (0.64) TSHRTHRBALDH1A1
SCHEMBL11304474 0.85 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL4268354 0.85 TSHR (0.59) TSHRTHRBALDH1A1TGFBR1
SCHEMBL346926 0.85 TSHR (0.59) TSHRTHRBALDH1A1TGFBR1
SCHEMBL5827538 0.85 TSHR (0.59) TSHRTHRBALDH1A1TGFBR1
SCHEMBL2585229 0.84 TSHR (0.68) TSHRTHRBALDH1A1
SCHEMBL20854815 0.84 TSHR (0.68) TSHRTHRBALDH1A1
SCHEMBL1372597 0.82 TSHR (0.67) TSHRTHRBALDH1A1
SCHEMBL306496 0.81 TSHR (0.55) TSHRTHRBALDH1A1TGFBR1
SCHEMBL306870 0.81 TSHR (0.55) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4921930-A ABRASION RESISTANT POLYESTERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-05-01 US claimed
US-4910281-A Polyurethane from diol and diisocyanate MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-03-20 US claimed
US-4921930-A ABRASION RESISTANT POLYESTERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-05-01 US disclosed
US-4910281-A Polyurethane from diol and diisocyanate MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-03-20 US disclosed
EP-0309249-A2 Acryloyloxy and methacryloyloxy group-containing condensation polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-03-29 EP disclosed