⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15120670 | 0.88 | — | — | |
| SCHEMBL10183581 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL13879945 | 0.75 | — | — | |
| SCHEMBL9965196 | 0.75 | — | — | |
| SCHEMBL23972149 | 0.75 | — | — | |
| SCHEMBL13076902 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL14416627 | 0.74 | — | — | |
| SCHEMBL14734279 | 0.72 | ESR1 (0.31) | — | |
| SCHEMBL21972331 | 0.72 | RIPK1 (0.35) | — | |
| SCHEMBL22620056 | 0.71 | — | — |
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-9850268-B2 | Metathesis catalysts and methods thereof | TRUSTEES OF BOSTON COLLEGE (US) | 2017-12-26 | — | — | US | disclosed |