⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1503 | 0.97 | — | — | |
| SCHEMBL28068910 | 0.94 | — | — | |
| SCHEMBL30404482 | 0.94 | — | — | |
| Methane SCHEMBL28055339 | 0.94 | — | — | |
| SCHEMBL28852463 | 0.94 | HCAR2 (0.44) | — | |
| SCHEMBL28959328 | 0.94 | HCAR2 (0.44) | — | |
| SCHEMBL29150915 | 0.94 | — | — | |
| SCHEMBL30802139 | 0.94 | — | — | |
| Potassium SCHEMBL30471622 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28254978 | 0.94 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108610328-B | Pyridyl bridged pyrazolyl pyrrole derivative and its prepn and application | 中国科学院大连化学物理研究所 | 2021-05-04 | — | — | CN | disclosed |
| CN-108148046-B | Pyridyl bridged pyrazolyl indole derivative and its prepn and application | 中国科学院大连化学物理研究所 | 2020-07-14 | — | — | CN | disclosed |
| CN-105693696-A | Aminopyrazolyldipyridine and preparation method thereof | 中国科学院大连化学物理研究所 | 2016-06-22 | — | — | CN | disclosed |