⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16245051 | 0.92 | TSHR (0.34) | — | |
| SCHEMBL8446682 | 0.89 | TSHR (0.40) | — | |
| SCHEMBL22719589 | 0.86 | KDM4E (0.36) | — | |
| SCHEMBL23609227 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL21565891 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL10035790 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL24448353 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL20314866 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL22719634 | 0.74 | TGM2 (0.46) | — | |
| SCHEMBL24564484 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3181619-A1 | POLYMER FUNCTIONAL FILM, PRODUCTION METHOD THEREOF, AND STACK OR DEVICE PROVIDED WITH POLYMER FUNCTIONAL FILM | Fujifilm Corporation (JP) | 2017-06-21 | — | — | EP | disclosed |