⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4845059 | 0.69 | — | — | |
| SCHEMBL17434359 | 0.69 | — | — | |
| SCHEMBL469386 | 0.60 | ALDH1A1 (0.72) | — | |
| SCHEMBL27896122 | 0.60 | — | — | |
| SCHEMBL1588979 | 0.60 | ALDH1A1 (0.55) | — | |
| SCHEMBL16372275 | 0.59 | — | — | |
| SCHEMBL8763290 | 0.56 | ALDH1A1 (0.57) | — | |
| SCHEMBL30527294 | 0.56 | ALDH1A1 (0.57) | — | |
| SCHEMBL27499100 | 0.55 | — | — | |
| SCHEMBL10443266 | 0.55 | ALDH1A1 (0.33) | — |
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-114380799-A | COT modulators and methods of use thereof | 吉利德科学公司 | 2022-04-22 | — | — | CN | disclosed |