⚠ 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 | |
|---|---|---|---|---|
| N,N-Dimethylethanaminium SCHEMBL9435729 | 0.82 | CHRM1 (0.31) | — | |
| Trimethylammonium SCHEMBL282485 | 0.82 | — | — | |
| Propane SCHEMBL987968 | 0.82 | — | — | |
| Alcohol SCHEMBL94631 | 0.79 | ALDH1A1 (0.40) | — | |
| Butane SCHEMBL27301811 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL28466923 | 0.79 | CHRM2 (0.32) | — | |
| Alcohol SCHEMBL10862814 | 0.77 | ALDH1A1 (0.38) | — | |
| Alcohol SCHEMBL639197 | 0.77 | ALDH1A1 (0.38) | — | |
| Alcohol SCHEMBL2508797 | 0.77 | ALDH1A1 (0.38) | — | |
| Ethylamine SCHEMBL5718050 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0586521-A1 | CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS | THE PROCTER & GAMBLE COMPANY (US) | 1994-03-16 | — | — | EP | disclosed |
| WO-1992021355-A1 | CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS | THE PROCTER & GAMBLE COMPANY (US) | 1992-12-10 | — | — | WO | disclosed |
| EP-0351897-A2 | Skin penetration system for salts of amine-functional drugs | THE PROCTER & GAMBLE COMPANY (US) | 1990-01-24 | — | — | EP | disclosed |