SCHEMBL8843380

SCHEMBL8843380

O=C(O)C(CCCCCCn1ccnc1)C(C(=O)O)P(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.63

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
SCHEMBL8848903 1.00 TBXAS1 (0.63) TBXAS1
SCHEMBL8843691 0.99 TBXAS1 (0.60) TBXAS1
SCHEMBL8843708 0.89 TBXAS1 (0.50) TBXAS1
SCHEMBL8843686 0.81 FDPS (0.59) TBXAS1
SCHEMBL11274186 0.75 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL11303291 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL11274189 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL11293768 0.75 TBXAS1 (1.00) TBXAS1
SCHEMBL8843300 0.74 FDPS (0.51) TBXAS1
Hydrochloric Acid SCHEMBL11279573 0.74 TBXAS1 (1.00) TBXAS1

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
US-5627170-A Phosphonic acid compound containing heterocyclic substituents, pharmaceutical composition contains same and a method of treating calcium metabolism disturbance BOEHRINGER MANNHEIM GMBH (DE) 1997-05-06 US disclosed
US-5538957-A OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-07-23 US disclosed