⚠ 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL631271 | 0.92 | — | — | |
| Butane SCHEMBL22619597 | 0.89 | CXCR4 (0.64) | — | |
| Pyrrolidine SCHEMBL29175546 | 0.89 | ALDH1A1 (0.53) | — | |
| Piperidine SCHEMBL8740912 | 0.89 | ALDH1A1 (0.64) | — | |
| Butane SCHEMBL4155411 | 0.86 | HIF1A (0.46) | — | |
| Azetidine SCHEMBL27852693 | 0.86 | — | — | |
| Piperidine SCHEMBL27850884 | 0.86 | ALDH1A1 (0.60) | — | |
| Piperidine SCHEMBL18918845 | 0.86 | ALDH1A1 (0.60) | — | |
| Piperazine SCHEMBL2842298 | 0.82 | HIF1A (0.55) | — | |
| Azetidine SCHEMBL28507670 | 0.82 | — | — |
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-104364070-B | Azetidinium-containing copolymers and uses thereof | 诺华股份有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-103517907-B | Volution isoxazolines derivative as antiparasitic | 硕腾服务有限责任公司 | 2016-07-06 | — | — | CN | disclosed |