SCHEMBL8529090

SCHEMBL8529090

C=CCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.37
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8530065 0.81 FOLH1 (0.39) FOLH1
SCHEMBL8530070 0.81 FOLH1 (0.39) FOLH1
SCHEMBL1369232 0.80 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL8528278 0.80 FOLH1 (0.41) FOLH1
SCHEMBL22770 0.78 FOLH1 (0.44) FOLH1ALDH1A1TSHR
SCHEMBL8529495 0.78 FOLH1 (0.40) FOLH1
SCHEMBL8529284 0.77 FOLH1 (0.37) FOLH1
SCHEMBL8531489 0.75 FOLH1 (0.38) FOLH1
SCHEMBL8531643 0.75 FOLH1 (0.38) FOLH1
SCHEMBL8532196 0.74 FOLH1 (0.37) FOLH1

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-0752999-B1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1998-10-28 EP disclosed
US-5698541-A DISEASES OF CALCIUM METABOLISM; OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1997-12-16 US disclosed
WO-1995011249-A1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-04-27 WO disclosed