⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6645488 | 0.74 | — | — | |
| SCHEMBL1978353 | 0.67 | — | — | |
| SCHEMBL27509696 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL1854076 | 0.64 | — | — | |
| SCHEMBL11265868 | 0.62 | ELANE (0.34) | — | |
| SCHEMBL27636175 | 0.61 | — | — | |
| SCHEMBL6006494 | 0.61 | — | — | |
| SCHEMBL1853789 | 0.61 | — | — | |
| SCHEMBL8187887 | 0.60 | KMT2A (0.34) | — | |
| SCHEMBL27359652 | 0.60 | KMT2A (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102086212-B | Antifungal agent-2, 3,4, 5-tetrahydro-4H-benzo [ b ] thiopyrano [4,3-c ] pyrazole-2-carboxamide derivatives | UNIV SHENYANG PHARMACEUTICAL | 2013-06-12 | — | — | CN | claimed |
| CN-102086212-A | Antifungal agent-2, 3,4, 5-tetrahydro-4H-benzo [ b ] thiopyrano [4,3-c ] pyrazole-2-carboxamide derivatives | UNIV SHENYANG PHARMACEUTICAL | 2011-06-08 | — | — | CN | claimed |
| CN-102086212-B | Antifungal agent-2, 3,4, 5-tetrahydro-4H-benzo [ b ] thiopyrano [4,3-c ] pyrazole-2-carboxamide derivatives | UNIV SHENYANG PHARMACEUTICAL | 2013-06-12 | — | — | CN | disclosed |
| CN-102086212-A | Antifungal agent-2, 3,4, 5-tetrahydro-4H-benzo [ b ] thiopyrano [4,3-c ] pyrazole-2-carboxamide derivatives | UNIV SHENYANG PHARMACEUTICAL | 2011-06-08 | — | — | CN | disclosed |