SCHEMBL7052023

SCHEMBL7052023

C=CCC(C(=O)O)(C(O)CO)P(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1219981 0.73
SCHEMBL1369232 0.67 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL11498320 0.64 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL87984 0.62 TSHR (0.32) TSHR
SCHEMBL2361873 0.62
SCHEMBL5363414 0.62 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL19212018 0.61 LPAR2 (0.31) ALDH1A1TSHR
SCHEMBL12724336 0.61 TSHR (0.30) TSHR
SCHEMBL19244726 0.61 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL8529090 0.60 FOLH1 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792275-B1 IMPROVED ANTIVIRAL PRODRUGS UNIV CALIFORNIA (US) 2004-03-03 EP claimed
US-6002029-A Antiviral prodrugs CHIMERIX, INC. 1999-12-14 US claimed