⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28801239 | 0.98 | ALDH1A1 (0.35) | — | |
| SCHEMBL18191208 | 0.82 | CYP2C19 (0.33) | — | |
| SCHEMBL23774547 | 0.79 | CYP2C19 (0.35) | — | |
| SCHEMBL23774544 | 0.78 | CYP2C19 (0.38) | — | |
| SCHEMBL3544761 | 0.76 | KDM4E (0.36) | — | |
| SCHEMBL598110 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL22323181 | 0.75 | KDM4E (0.35) | — | |
| SCHEMBL5534731 | 0.72 | — | — | |
| SCHEMBL1480296 | 0.72 | CYP2C19 (0.50) | — | |
| SCHEMBL3112825 | 0.70 | GABRA5 (0.41) | — |
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-105246882-A | BCL-2/Bcl-xL inhibitors and methods of treatment using the same | UNIV MICHIGAN | 2016-01-13 | — | — | CN | disclosed |