⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12589 | 0.69 | — | — | |
| SCHEMBL24821351 | 0.67 | — | — | |
| SCHEMBL18430746 | 0.67 | — | — | |
| SCHEMBL10406348 | 0.65 | GABRP (0.36) | — | |
| SCHEMBL1472300 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL18669481 | 0.65 | — | — | |
| SCHEMBL681112 | 0.65 | — | — | |
| SCHEMBL10404 | 0.64 | — | — | |
| SCHEMBL5904396 | 0.64 | — | — | |
| SCHEMBL22824167 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018045971-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发有限公司 | 2018-03-15 | — | — | WO | disclosed |