⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1902080 | 0.71 | — | — | |
| Diphenylmethane SCHEMBL3792579 | 0.69 | CALM1 (1.00) | — | |
| SCHEMBL9741303 | 0.69 | ALDH1A1 (0.69) | — | |
| SCHEMBL62125 | 0.69 | ALDH1A1 (0.69) | — | |
| Diphenylmethane SCHEMBL1303 | 0.69 | CALM1 (1.00) | — | |
| Diphenylmethane SCHEMBL14763944 | 0.69 | CALM1 (1.00) | — | |
| Benzene SCHEMBL3440179 | 0.69 | ALDH1A1 (0.69) | — | |
| Diphenylmethane SCHEMBL4361124 | 0.69 | CALM1 (1.00) | — | |
| SCHEMBL756844 | 0.69 | ALDH1A1 (0.57) | — | |
| Hydrochloric Acid SCHEMBL2465284 | 0.69 | CALM1 (0.50) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4396777-A | 1-Cycloalkyl phosphonium salts | G. D. SEARLE & CO. (US) | 1983-08-02 | — | — | US | disclosed |
| US-4336252-A | 1-Cycloalkyl phosphonium salts | G. D. SEARLE & CO. (US) | 1982-06-22 | — | — | US | disclosed |