⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6889892 | 0.76 | IDO1 (0.33) | — | |
| SCHEMBL6883982 | 0.72 | MAPK1 (0.36) | — | |
| SCHEMBL6887487 | 0.71 | ERN1 (0.38) | — | |
| SCHEMBL6888757 | 0.69 | NOTUM (0.41) | — | |
| SCHEMBL16549592 | 0.69 | RAB9A (0.54) | — | |
| SCHEMBL6889201 | 0.69 | LMNA (0.39) | — | |
| SCHEMBL6890028 | 0.69 | PPARA (0.41) | — | |
| SCHEMBL508581 | 0.68 | NPC1 (0.34) | — | |
| SCHEMBL6888453 | 0.67 | RAB9A (0.52) | — | |
| SCHEMBL20501822 | 0.65 | RAB9A (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6835842-B2 | Microbiocides; bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 2004-12-28 | — | — | US | claimed |
| US-20030207929-A1 | 3-nitroisoxazoles and their use in the protection of materials | LANXESS DEUTSCHLAND GMBH (DE) | 2003-11-06 | — | — | US | disclosed |
| US-20030166698-A1 | 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS | LANXESS DEUTSCHLAND GMBH (DE) | 2003-09-04 | — | — | US | disclosed |