⚠ 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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL28046835 | 0.96 | ALDH1A1 (0.64) | — | |
| Piperidine SCHEMBL27814943 | 0.93 | ALDH1A1 (0.60) | — | |
| Ethylene Glycol SCHEMBL5475929 | 0.88 | — | — | |
| Piperazine SCHEMBL9877421 | 0.84 | HIF1A (0.55) | — | |
| Pyrrolidine SCHEMBL17377306 | 0.83 | — | — | |
| Pyrrolidine SCHEMBL5683314 | 0.81 | ALDH1A1 (0.53) | — | |
| Pyrrolidine SCHEMBL222328 | 0.81 | — | — | |
| Piperidine SCHEMBL2914572 | 0.81 | ALDH1A1 (0.53) | — | |
| Piperidine SCHEMBL676507 | 0.81 | ALDH1A1 (0.53) | — | |
| Pyrrolidine SCHEMBL10426559 | 0.79 | — | — |
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-109952289-A | TRPV4 antagonist | 葛兰素史密斯克莱知识产权（第2 号）有限公司 | 2019-06-28 | — | — | CN | disclosed |