⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26580914 | 0.88 | ESR1 (0.31) | — | |
| SCHEMBL24350514 | 0.81 | NUDT1 (0.34) | — | |
| SCHEMBL26580905 | 0.79 | GPR55 (0.32) | — | |
| SCHEMBL26580906 | 0.76 | GPR55 (0.32) | — | |
| SCHEMBL12032783 | 0.74 | GPR55 (0.35) | — | |
| SCHEMBL26580915 | 0.72 | — | — | |
| SCHEMBL26580916 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL24785871 | 0.70 | NUDT1 (0.33) | — | |
| SCHEMBL12052974 | 0.68 | GPR55 (0.40) | — | |
| SCHEMBL26580901 | 0.68 | KDM4E (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-20240226113-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2024-07-11 | — | — | US | disclosed |
| US-20230331717-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2023-10-19 | — | — | US | disclosed |