⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18920734 | 0.67 | — | — | |
| SCHEMBL27909439 | 0.67 | — | — | |
| SCHEMBL18009697 | 0.62 | — | — | |
| Benzene SCHEMBL28224994 | 0.56 | ALDH1A1 (0.75) | — | |
| Methylisothiocyanate SCHEMBL27880816 | 0.56 | — | — | |
| Methylisothiocyanate SCHEMBL3152 | 0.56 | — | — | |
| Methylisothiocyanate SCHEMBL28258797 | 0.53 | — | — | |
| Methylisothiocyanate SCHEMBL29112077 | 0.53 | — | — | |
| SCHEMBL28777937 | 0.49 | — | — | |
| SCHEMBL31265539 | 0.48 | — | — |
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-0412939-A2 | Certain benzopyran and benzothiopyran derivatives | CIBA-GEIGY AG (CH) | 1991-02-13 | — | — | EP | disclosed |
| EP-0217634-A2 | Sequencing of peptides | Beckman Research Institute of the City of Hope (US) | 1987-04-08 | — | — | EP | disclosed |