⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30109 | 0.98 | — | — | |
| SCHEMBL2733929 | 0.86 | HTR2C (0.36) | — | |
| Succinic Acid SCHEMBL9120466 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL10152921 | 0.76 | — | — | |
| SCHEMBL18894613 | 0.71 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL26645152 | 0.65 | HTR2C (0.36) | — | |
| SCHEMBL12214112 | 0.64 | HTR2C (0.46) | — | |
| SCHEMBL10152926 | 0.64 | — | — | |
| SCHEMBL23203257 | 0.63 | PARP1 (0.37) | — | |
| SCHEMBL928542 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104245702-B | New type nerve kassinin kinin 1 receptor agonist compounds | 利奥制药有限公司 | 2016-09-14 | — | — | CN | disclosed |