SCHEMBL8530305

SCHEMBL8530305

O=C(O)C(CC(C(=O)O)(c1ncc[nH]1)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.38
FOLH1 Q04609 1/20 0.32
CYP19A1 P11511 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
SCHEMBL8532218 0.75 FOLH1 (0.31) FOLH1
SCHEMBL8531520 0.74 FOLH1 (0.30) FOLH1
SCHEMBL8868503 0.74 FDPS (0.52) FDPSFOLH1
SCHEMBL8528407 0.73 PTPN1 (0.41) FDPSFOLH1
SCHEMBL8529344 0.72 FDPS (0.44) FDPSFOLH1
SCHEMBL8531404 0.70 SORT1 (0.35) FDPS
SCHEMBL8531847 0.70 FDPS (0.38) FDPS
SCHEMBL8531845 0.69 MEN1 (0.38) FOLH1
SCHEMBL8529423 0.69 KIF11 (0.38) FOLH1
SCHEMBL8532194 0.69 FDPS (0.45) FDPS

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-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