⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL698770 | 0.86 | PDK2 (0.33) | — | |
| SCHEMBL1067649 | 0.71 | TRPV4 (0.31) | — | |
| SCHEMBL3454007 | 0.71 | TRPV4 (0.31) | — | |
| SCHEMBL1068985 | 0.71 | TRPV4 (0.31) | — | |
| SCHEMBL262756 | 0.71 | NT5E (0.30) | — | |
| SCHEMBL149760 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL1068187 | 0.71 | PDE2A (0.30) | — | |
| SCHEMBL1067459 | 0.71 | MEN1 (0.35) | — | |
| SCHEMBL1069528 | 0.70 | — | — | |
| SCHEMBL1069252 | 0.70 | TRPV4 (0.37) | — |
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 |