⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24827927 | 0.98 | — | — | |
| SCHEMBL24833175 | 0.84 | OPRM1 (0.33) | — | |
| SCHEMBL24197193 | 0.84 | OPRL1 (0.38) | — | |
| SCHEMBL24827925 | 0.83 | — | — | |
| SCHEMBL24828020 | 0.83 | — | — | |
| SCHEMBL24827896 | 0.81 | — | — | |
| SCHEMBL24827898 | 0.81 | — | — | |
| SCHEMBL840163 | 0.80 | — | — | |
| SCHEMBL24185578 | 0.79 | — | — | |
| SCHEMBL24185559 | 0.77 | LMNA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11542266-B1 | Substituted piperidines as BTK inhibitors | HAISCO PHARMACEUTICALS PTE. LTD. (SG) | 2023-01-03 | — | — | US | disclosed |