⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19135909 | 0.87 | PER2 (0.30) | — | |
| SCHEMBL19864354 | 0.85 | POLB (0.32) | — | |
| SCHEMBL19646435 | 0.82 | — | — | |
| SCHEMBL22858651 | 0.72 | POLB (0.30) | — | |
| SCHEMBL21133426 | 0.71 | POLB (0.48) | — | |
| SCHEMBL23373026 | 0.64 | PER2 (0.39) | — | |
| SCHEMBL12228952 | 0.64 | APEX1 (0.53) | — | |
| SCHEMBL12228943 | 0.63 | NPC1 (0.36) | — | |
| SCHEMBL14477945 | 0.60 | POLB (0.61) | — | |
| SCHEMBL15041971 | 0.60 | BRD4 (0.57) | — |
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-20180044346-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2018-02-15 | — | — | US | disclosed |