⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24663882 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL30427115 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL8805708 | 0.76 | — | — | |
| SCHEMBL26932615 | 0.76 | CYP1A2 (0.40) | — | |
| SCHEMBL25136825 | 0.76 | — | — | |
| SCHEMBL29235083 | 0.76 | CHRM4 (0.34) | — | |
| SCHEMBL31026632 | 0.76 | PDE10A (0.36) | — | |
| SCHEMBL29235087 | 0.74 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL31235387 | 0.74 | PKM (0.30) | — | |
| SCHEMBL12599932 | 0.73 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115304623-A | Pyrimido-cyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2022-11-08 | — | — | CN | disclosed |