⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL182647 | 0.84 | TDP1 (0.41) | — | |
| SCHEMBL17865 | 0.81 | — | — | |
| SCHEMBL156659 | 0.81 | FFAR3 (0.47) | — | |
| 1,1-Dichloroethene SCHEMBL10628226 | 0.80 | FFAR3 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL93844 | 0.79 | — | — | |
| Methyl Alcohol SCHEMBL8845851 | 0.79 | — | — | |
| Ethylene SCHEMBL57344 | 0.79 | — | — | |
| Oxalic Acid SCHEMBL7521918 | 0.79 | FFAR3 (0.44) | — | |
| Hydrochloric Acid SCHEMBL7789541 | 0.79 | — | — | |
| Methane SCHEMBL3265965 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0788362-B1 | PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMA (US) | 2001-07-25 | — | — | EP | disclosed |
| US-5760021-A | TREATING OR PREVENTING METABOLIC BONE DISORDERS | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0788362-A1 | PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1997-08-13 | — | — | EP | disclosed |
| WO-1993024131-A1 | PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1993-12-09 | — | — | WO | disclosed |