⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1325080 | 0.65 | — | — | |
| SCHEMBL19014172 | 0.64 | P2RX7 (0.38) | — | |
| SCHEMBL9016045 | 0.61 | KMT2A (0.34) | — | |
| SCHEMBL18527192 | 0.61 | — | — | |
| SCHEMBL5175442 | 0.61 | — | — | |
| SCHEMBL27894949 | 0.61 | AHR (0.55) | — | |
| SCHEMBL29743274 | 0.59 | — | — | |
| SCHEMBL8987908 | 0.59 | — | — | |
| SCHEMBL30529349 | 0.58 | — | — | |
| SCHEMBL28235234 | 0.58 | CYP3A4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105308032-B | Novel triazole derivatives | 拜耳作物科学股份公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-106187876-A | A kind of synthetic method of 2 chlorine apellagrins | 南京红太阳生物化学有限责任公司 | 2016-12-07 | — | — | CN | disclosed |