⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL998545 | 0.77 | — | — | |
| SCHEMBL23774430 | 0.72 | — | — | |
| SCHEMBL14267888 | 0.72 | — | — | |
| SCHEMBL12463158 | 0.71 | — | — | |
| SCHEMBL14541555 | 0.71 | — | — | |
| SCHEMBL12027948 | 0.71 | — | — | |
| SCHEMBL14198629 | 0.70 | — | — | |
| SCHEMBL2480626 | 0.69 | CYP3A4 (0.31) | — | |
| SCHEMBL12835380 | 0.68 | CYP3A4 (0.45) | — | |
| SCHEMBL14400231 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2428506-A1 | HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF | Jiangsu Provincial Institute Of Materia Medica Co. (CN) | 2012-03-14 | — | — | EP | disclosed |