SCHEMBL14199560

SCHEMBL14199560

CP(=O)(O)C(C[n+]1cccc(C(F)(F)F)c1)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 15/20 0.51
▸ FDPS P14324 2/20 0.42
▸ ACP3 P15309 4/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ MMP2 P08253 1/20 0.36

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
SCHEMBL12060609 0.92 GGPS1 (0.52) GGPS1FDPSACP3CA12CA1
SCHEMBL14199558 0.83 GGPS1 (0.42) GGPS1FDPSACP3CA12CA1
SCHEMBL14199570 0.82 GGPS1 (0.55) GGPS1FDPS
SCHEMBL14199556 0.79 GGPS1 (0.55) GGPS1FDPS
SCHEMBL14199582 0.79 GGPS1 (0.55) GGPS1FDPS
SCHEMBL14199557 0.79 GGPS1 (0.74) GGPS1FDPS
SCHEMBL12257842 0.78 GGPS1 (0.57) GGPS1FDPS
SCHEMBL14199553 0.78 GGPS1 (0.75) GGPS1FDPS
SCHEMBL14199572 0.76 GGPS1 (0.53) GGPS1FDPS
SCHEMBL14199559 0.75 GGPS1 (0.52) GGPS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358361-B2 Biophosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-15 — — US disclosed
Send feedback