⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9501030 | 1.00 | — | — | |
| Iodide SCHEMBL1545133 | 0.97 | — | — | |
| Iodide SCHEMBL1545131 | 0.97 | — | — | |
| SCHEMBL14985145 | 0.76 | — | — | |
| SCHEMBL29183249 | 0.76 | — | — | |
| SCHEMBL23092903 | 0.71 | — | — | |
| SCHEMBL18700007 | 0.71 | — | — | |
| SCHEMBL10288873 | 0.71 | — | — | |
| SCHEMBL244909 | 0.71 | — | — | |
| SCHEMBL244908 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2257297-B1 | COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION | MIMETICA PTY LTD (AU) | 2017-10-18 | — | — | EP | disclosed |
| US-5234897-A | Defoliants;desiccants; selectively combating dicotyledon weeds in monocotyledon crops | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-10 | — | — | US | disclosed |