⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18096501 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL17029872 | 0.73 | — | — | |
| SCHEMBL151744 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL9815822 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL20913172 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL22180866 | 0.71 | SHBG (0.32) | — | |
| SCHEMBL8863453 | 0.71 | CA1 (0.45) | — | |
| SCHEMBL27939663 | 0.69 | — | — | |
| SCHEMBL15484213 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL22631740 | 0.69 | GBA1 (0.41) | — |
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-2020026834-A1 | RESIST UNDERLAYER FILM-FORMING COMPOSITION | 日産化学株式会社 | 2020-02-06 | — | — | WO | disclosed |