⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9828750 | 1.00 | — | — | |
| SCHEMBL10382935 | 0.89 | DRD2 (0.38) | — | |
| SCHEMBL9826823 | 0.86 | — | — | |
| SCHEMBL10768164 | 0.86 | — | — | |
| SCHEMBL9827831 | 0.86 | — | — | |
| SCHEMBL9826729 | 0.86 | — | — | |
| SCHEMBL9826725 | 0.86 | — | — | |
| SCHEMBL9829608 | 0.86 | — | — | |
| SCHEMBL11005707 | 0.83 | HTR1A (0.56) | — | |
| SCHEMBL9826970 | 0.80 | HTR1A (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0220051-B1 | ISOTHIAZOLONE DERIVATIVES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-06-12 | — | — | EP | claimed |
| EP-0220051-A1 | Isothiazolone derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1987-04-29 | — | — | EP | claimed |
| US-4732984-A | Piperazinoisothiazolones with psychotropic activity | AMERICAN HOME PRODUCTS CORPORATION (US) | 1988-03-22 | — | — | US | disclosed |