⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27292133 | 0.79 | — | — | |
| Vinyl Chloride SCHEMBL7068620 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL4839246 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL525131 | 0.74 | — | — | |
| SCHEMBL126507 | 0.74 | — | — | |
| SCHEMBL28223804 | 0.74 | — | — | |
| Vinyl Chloride SCHEMBL8415985 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL131883 | 0.72 | — | — | |
| SCHEMBL11071158 | 0.72 | — | — | |
| SCHEMBL29102072 | 0.72 | — | — |
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-4307015-A | DISPERSE DYES | SANDOZ LTD. (CH) | 1981-12-22 | — | — | US | claimed |
| US-4307015-A | DISPERSE DYES | SANDOZ LTD. (CH) | 1981-12-22 | — | — | US | disclosed |