⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5773261 | 0.83 | KCNN4 (0.32) | — | |
| SCHEMBL16951677 | 0.82 | GABRA1 (0.35) | — | |
| SCHEMBL3453974 | 0.71 | — | — | |
| SCHEMBL1066210 | 0.71 | — | — | |
| SCHEMBL5314612 | 0.71 | CYP3A4 (0.41) | — | |
| SCHEMBL82438 | 0.71 | TDP1 (0.34) | — | |
| SCHEMBL81364 | 0.71 | — | — | |
| SCHEMBL1068397 | 0.71 | — | — | |
| SCHEMBL1065316 | 0.71 | SLC22A12 (0.36) | — | |
| SCHEMBL1066920 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010149758-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-29 | — | — | WO | disclosed |