⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24179917 | 0.77 | DNM1 (0.36) | — | |
| SCHEMBL28923810 | 0.70 | — | — | |
| SCHEMBL28437192 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL21157519 | 0.69 | GABRR1 (0.32) | — | |
| SCHEMBL16648966 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL17856838 | 0.67 | — | — | |
| SCHEMBL7639669 | 0.67 | GABRR1 (0.31) | — | |
| SCHEMBL22013512 | 0.66 | — | — | |
| SCHEMBL31342744 | 0.66 | ACE2 (0.34) | — | |
| SCHEMBL11038674 | 0.65 | TSHR (0.33) | — |
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-9737246-B2 | Apparatus and program for evaluating biological function | KATO TOSHINORI (JP) | 2017-08-22 | — | — | US | disclosed |