SCHEMBL7539773

SCHEMBL7539773

C=C(C)C(=O)OC1(C2CO2)CC1.C=C(CCCC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 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
Methacrylic Acid SCHEMBL7627602 0.84 ALDH1A1 (0.41) ALDH1A1
SCHEMBL109019 0.82 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7545497 0.81 TSHR (0.34) ALDH1A1TSHR
SCHEMBL6156012 0.80 APEX1 (0.30)
SCHEMBL6155532 0.79 TSHR (0.51) ALDH1A1TSHR
SCHEMBL316721 0.77 TSHR (0.51) ALDH1A1TSHR
Acrylic Acid SCHEMBL7638498 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4221450 0.77 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL1517917 0.75 ALDH1A1 (0.68) ALDH1A1TSHR
Ethylene SCHEMBL3315158 0.74 ALDH1A1 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238011-A1 THERMOPLASTIC COMPOSITIONS HAVING HIGH DIMENSIONAL STABILITY Apex Research Ltd., Inc. (US) 2002-09-11 EP claimed
EP-1208970-A1 Multi-layered thermoplastic container Apex Research Ltd., Inc. (US) 2002-05-29 EP claimed
WO-2001040377-A1 THERMOPLASTIC COMPOSITIONS HAVING HIGH DIMENSIONAL STABILITY APEX RESEARCH LTD., INC. (US) 2001-06-07 WO claimed