⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL28252531 | 0.82 | — | — | |
| Urea SCHEMBL28297434 | 0.82 | — | — | |
| SCHEMBL9660945 | 0.82 | — | — | |
| SCHEMBL10139 | 0.82 | — | — | |
| SCHEMBL28084851 | 0.82 | — | — | |
| Dimethylamine SCHEMBL4641758 | 0.78 | — | — | |
| Dimethylamine SCHEMBL2333781 | 0.78 | — | — | |
| Carbamic Acid SCHEMBL29392196 | 0.78 | ACHE (0.64) | — | |
| Acetamide SCHEMBL20656750 | 0.78 | — | — | |
| Carbamic Acid SCHEMBL9701070 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115433235-A | Organic phosphaphenanthrene derivative with hydroxyl structure and preparation method thereof | 中国科学院化学研究所 | 2022-12-06 | — | — | CN | disclosed |
| US-20110059948-A1 | QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS | THE INSTITUTE OF MOLECULAR MEDICINE (IN) | 2011-03-10 | — | — | US | disclosed |