⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL570057 | 0.62 | — | — | |
| SCHEMBL1662883 | 0.62 | — | — | |
| Iodide SCHEMBL27502072 | 0.60 | — | — | |
| SCHEMBL20755440 | 0.60 | CYP2A6 (0.44) | — | |
| SCHEMBL1645074 | 0.60 | ACHE (0.44) | — | |
| SCHEMBL358582 | 0.60 | ACHE (0.44) | — | |
| SCHEMBL758088 | 0.60 | ACHE (0.44) | — | |
| Hydrochloric Acid SCHEMBL1353327 | 0.60 | — | — | |
| Benzene SCHEMBL21643167 | 0.59 | TSHR (0.35) | — | |
| SCHEMBL20048658 | 0.59 | — | — |
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-3889154-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Wuhan LL Science And Technology Development Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020135771-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2020-07-02 | — | — | WO | disclosed |