⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1232366 | 0.79 | NPC1 (0.31) | — | |
| SCHEMBL24105771 | 0.77 | HTR2C (0.38) | — | |
| SCHEMBL25385154 | 0.76 | KDM1A (0.34) | — | |
| SCHEMBL7863220 | 0.73 | CHRNB2 (0.33) | — | |
| SCHEMBL3376960 | 0.72 | CYP1A2 (0.32) | — | |
| SCHEMBL8492067 | 0.71 | KDM1A (0.32) | — | |
| SCHEMBL12383448 | 0.70 | TAAR1 (0.33) | — | |
| SCHEMBL24216729 | 0.69 | KDM1A (0.42) | — | |
| SCHEMBL30409857 | 0.69 | KDM1A (0.42) | — | |
| SCHEMBL1233031 | 0.69 | LMNA (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-113727758-A | Bicyclic heterocyclic compounds and use thereof | 锐新医药公司 | 2021-11-30 | — | — | CN | disclosed |