⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15542456 | 1.00 | — | — | |
| SCHEMBL4971138 | 0.74 | P2RX4 (0.35) | — | |
| SCHEMBL876240 | 0.72 | — | — | |
| SCHEMBL15532243 | 0.69 | LMNA (0.35) | — | |
| SCHEMBL166053 | 0.68 | FOLH1 (0.32) | — | |
| SCHEMBL23277095 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL6511571 | 0.66 | — | — | |
| SCHEMBL2476401 | 0.66 | FOLH1 (0.31) | — | |
| SCHEMBL3903544 | 0.64 | — | — | |
| SCHEMBL24937768 | 0.63 | SMN1; SMN2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2847183-A1 | METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS | Bayer Pharma Aktiengesellschaft (DE) | 2015-03-18 | — | — | EP | claimed |
| WO-2013167552-A1 | METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2013-11-14 | — | — | WO | claimed |