⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9733202 | 0.75 | — | — | |
| SCHEMBL492196 | 0.73 | — | — | |
| SCHEMBL4669132 | 0.71 | — | — | |
| SCHEMBL3650467 | 0.71 | — | — | |
| SCHEMBL27363689 | 0.71 | — | — | |
| SCHEMBL5577075 | 0.71 | ALDH1A1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL5043231 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28741632 | 0.71 | — | — | |
| SCHEMBL9830446 | 0.71 | — | — | |
| Thiourea SCHEMBL29287642 | 0.70 | TSHR (0.50) | — |
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-110691973-A | Method for quantifying meta-alpha inhibitor protein | 普罗瑟拉生物公司 | 2020-01-14 | — | — | CN | disclosed |