⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9344679 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL19655633 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL9340129 | 0.69 | — | — | |
| SCHEMBL12251582 | 0.68 | — | — | |
| SCHEMBL16904647 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL22427798 | 0.65 | — | — | |
| SCHEMBL6855288 | 0.63 | KMT2A (0.54) | — | |
| SCHEMBL9342106 | 0.62 | — | — | |
| SCHEMBL2614743 | 0.59 | HRH4 (0.33) | — | |
| SCHEMBL4783279 | 0.59 | ADORA2A (0.31) | — |
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-0378082-B1 | 1-Hydroxy-1,2,4-triazoles | BASF AG (DE) | 1994-06-08 | — | — | EP | disclosed |
| EP-0378082-A1 | 1-Hydroxy-1,2,4-triazoles | BASF Aktiengesellschaft (DE) | 1990-07-18 | — | — | EP | disclosed |