⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16488474 | 0.61 | HRH3 (0.30) | — | |
| SCHEMBL7385000 | 0.59 | CYP2C19 (0.32) | — | |
| SCHEMBL24503558 | 0.57 | — | — | |
| SCHEMBL12398342 | 0.53 | — | — | |
| SCHEMBL30910833 | 0.49 | — | — | |
| Propionic Acid SCHEMBL6308852 | 0.48 | FFAR3 (0.83) | — | |
| Benzene SCHEMBL161390 | 0.48 | FFAR3 (0.83) | — | |
| Glycolic Acid SCHEMBL4019663 | 0.48 | — | — | |
| Benzene SCHEMBL21273380 | 0.48 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL4808475 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |