SCHEMBL9190293

SCHEMBL9190293

NCC(N)CCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 18/20 0.56
PDE3A Q14432 2/20 0.56
LMNA P02545 1/20 0.56
ADRB3 P13945 1/20 0.56
PDE4D Q08499 1/20 0.56
GGPS1 O95749 7/20 0.41
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38

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
SCHEMBL5493018 0.82 FDPS (0.54) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL24616674 0.73 FDPS (0.48) FDPSPDE3ALMNAADRB3PDE4D
Pamidronic Acid SCHEMBL18361 0.72 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL5293608 0.72
SCHEMBL28355003 0.72 FDPS (0.47) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL12570894 0.71 FDPS (0.56) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL24616673 0.71 FDPS (0.68) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL7035721 0.71 FDPS (0.46) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL7032261 0.71 FDPS (0.46) FDPSPDE3ALMNAADRB3PDE4D
Pamidronic Acid SCHEMBL8850008 0.70 FDPS (0.95) FDPSPDE3ALMNAADRB3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021032784-A1 PLATINUM ISOTOPE COMBINED WITH BONE-TARGETING AGENTS FOR USE IN ANTICANCER DRUGS NUCLEAR RESEARCH AND CONSULTANCY GROUP (NL) 2021-02-25 WO disclosed
EP-0444038-B1 CONJUGATES FOR BONE IMAGING AND BONE CANCER THERAPY NEORX CORP (US) 1995-12-06 EP disclosed
US-5202109-A Conjugates for bone imaging and bone cancer therapy NEORX CORPORATION (US) 1993-04-13 US disclosed
US-5089249-A CONJUGATES FOR BONE IMAGING AND BONE CANCER THERAPY NEORX CORPORATION (US) 1992-02-18 US disclosed
EP-0444038-A1 CONJUGATES FOR BONE IMAGING AND BONE CANCER THERAPY. NEORX CORP (US) 1991-09-04 EP disclosed