SCHEMBL9740740

SCHEMBL9740740

C1CCC2CCCC2C1.O=[PH](O)O[PH](=O)O

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
Phosphonic Acid SCHEMBL9740734 0.83 ALDH1A1 (0.53) ALDH1A1
Phosphonic Acid SCHEMBL8883960 0.83 ALDH1A1 (0.53) ALDH1A1
Biphenyl SCHEMBL15388313 0.77 ALDH1A1 (0.40) ALDH1A1
Cycloheptane SCHEMBL5007850 0.76
Cyclohexane SCHEMBL28050869 0.76
Cyclopentane SCHEMBL9179317 0.76
Biphenyl SCHEMBL11430652 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL27500493 0.72
SCHEMBL30492 0.72
Hydrogen Peroxide SCHEMBL9111065 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4687768-A OSTEOPOROSIS, ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1987-08-18 US claimed
US-5104863-A Certain bicycloalkane and azabicycloalkane-1,1-diphosphonic acid derivatives useful for treating diseases associated with abnormal calcium and phosphate metabolism THE PROCTER & GAMBLE COMPANY (US) 1992-04-14 US disclosed
US-4939131-A Certain cycloalkane-1,1-diphosphonic acids and derivatives thereof having the ability to treat diseases associated with abnormal calcium and phosphate metabolism THE PROCTER & GAMBLE COMPANY (US) 1990-07-03 US disclosed
EP-0189662-B1 NOVEL DIPHOSPHONATES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1989-09-06 EP disclosed
EP-0304962-A2 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1989-03-01 EP disclosed
EP-0304961-A2 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1989-03-01 EP disclosed
US-4687768-A OSTEOPOROSIS, ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1987-08-18 US disclosed
EP-0189662-A1 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1986-08-06 EP disclosed