⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21759234 | 0.94 | — | — | |
| SCHEMBL20157419 | 0.88 | MAPK1 (0.32) | — | |
| SCHEMBL1608194 | 0.85 | — | — | |
| SCHEMBL10717480 | 0.85 | MAPK1 (0.36) | — | |
| SCHEMBL10932413 | 0.78 | MAPK1 (0.36) | — | |
| SCHEMBL17295373 | 0.78 | — | — | |
| SCHEMBL13434103 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL21759578 | 0.77 | — | — | |
| SCHEMBL20314559 | 0.77 | CYP4F2 (0.35) | — | |
| SCHEMBL20314555 | 0.77 | CYP4F2 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11084818-B2 | Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use | HEPO PHARMACEUTICAL CO., LTD. (CN) | 2021-08-10 | — | — | US | disclosed |
| US-20200062758-A1 | Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use | HEPO PHARMACEUTICAL CO., LTD. (CN) | 2020-02-27 | — | — | US | disclosed |