⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4325459 | 0.79 | — | — | |
| SCHEMBL22980744 | 0.77 | — | — | |
| SCHEMBL300184 | 0.75 | — | — | |
| SCHEMBL9273466 | 0.74 | ALDH1A1 (0.45) | — | |
| SCHEMBL6896567 | 0.71 | — | — | |
| SCHEMBL9276802 | 0.70 | RNPEP (0.41) | — | |
| SCHEMBL467486 | 0.69 | RNPEP (0.39) | — | |
| SCHEMBL27867633 | 0.69 | RNPEP (0.39) | — | |
| Dl-Penicillamine SCHEMBL4344 | 0.69 | — | — | |
| Dl-Penicillamine SCHEMBL22322162 | 0.69 | ALDH1A1 (1.00) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4994574-A | Preparation of isothiazolones | ROHM AND HAAS COMPANY | 1991-02-19 | — | — | US | disclosed |