⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29299611 | 0.95 | — | — | |
| SCHEMBL1651455 | 0.82 | MAPK1 (0.33) | — | |
| SCHEMBL12403343 | 0.76 | — | — | |
| SCHEMBL18931692 | 0.76 | — | — | |
| SCHEMBL29296213 | 0.73 | — | — | |
| SCHEMBL21567203 | 0.71 | CHRNB4 (0.38) | — | |
| SCHEMBL15038220 | 0.71 | CHRNB4 (0.38) | — | |
| SCHEMBL15038199 | 0.70 | CYP1A2 (0.39) | — | |
| SCHEMBL25019739 | 0.68 | MGLL (0.37) | — | |
| SCHEMBL7600904 | 0.68 | CHRNB4 (0.43) | — |
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-20240226113-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2024-07-11 | — | — | US | disclosed |