⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21445848 | 0.88 | — | — | |
| SCHEMBL21446052 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL21445910 | 0.81 | — | — | |
| SCHEMBL21445991 | 0.81 | — | — | |
| SCHEMBL21445793 | 0.79 | — | — | |
| SCHEMBL21446030 | 0.79 | NPC1 (0.33) | — | |
| SCHEMBL21445867 | 0.78 | — | — | |
| SCHEMBL21445895 | 0.78 | — | — | |
| SCHEMBL21446073 | 0.75 | — | — | |
| SCHEMBL21235962 | 0.75 | MAOB (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019193846-A1 | PRODUCTION METHOD FOR COMPOUND AND COMPOUND | ダイキン工業株式会社 | 2019-10-10 | — | — | WO | disclosed |