⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL900904 | 0.84 | DRD1 (0.35) | — | |
| SCHEMBL11503971 | 0.81 | SCN4A (0.31) | — | |
| SCHEMBL1068228 | 0.79 | DRD1 (0.31) | — | |
| SCHEMBL900073 | 0.77 | — | — | |
| SCHEMBL1063853 | 0.77 | — | — | |
| SCHEMBL900983 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL1065553 | 0.75 | — | — | |
| SCHEMBL27690262 | 0.75 | — | — | |
| SCHEMBL27861331 | 0.73 | SCN4A (0.30) | — | |
| SCHEMBL455316 | 0.73 | — | — |
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 |