⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8021557 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL8021564 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL9755710 | 0.69 | SCN9A (0.36) | — | |
| SCHEMBL7107849 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL8032998 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL29713610 | 0.64 | GAA (0.48) | — | |
| SCHEMBL796071 | 0.64 | GAA (0.48) | — | |
| SCHEMBL27051394 | 0.63 | GAA (0.37) | — | |
| SCHEMBL23260638 | 0.62 | THRB (0.37) | — | |
| SCHEMBL24578864 | 0.61 | GAA (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1207869-A2 | ANTIMYCOTIC DRUG | Novartis AG (CH) | 2002-05-29 | — | — | EP | claimed |
| WO-2001015684-A2 | ANTIMYCOTIC DRUG | NOVARTIS AG (CH) | 2001-03-08 | — | — | WO | claimed |
| EP-1080722-A1 | Antimycotic compositions | Novartis AG (CH) | 2001-03-07 | — | — | EP | claimed |
| EP-1207869-A2 | ANTIMYCOTIC DRUG | Novartis AG (CH) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001015684-A2 | ANTIMYCOTIC DRUG | NOVARTIS AG (CH) | 2001-03-08 | — | — | WO | disclosed |
| EP-1080722-A1 | Antimycotic compositions | Novartis AG (CH) | 2001-03-07 | — | — | EP | disclosed |
| US-6040345-A | Benzoylphenylurea insecticides and methods of using them to control cockroaches | DOW AGROSCIENCES LLC (US) | 2000-03-21 | — | — | US | disclosed |