⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26441012 | 0.71 | — | — | |
| SCHEMBL12450450 | 0.66 | TSHR (0.51) | — | |
| SCHEMBL11949492 | 0.66 | TSHR (0.51) | — | |
| SCHEMBL17225752 | 0.65 | — | — | |
| SCHEMBL16769141 | 0.64 | — | — | |
| SCHEMBL22591287 | 0.64 | — | — | |
| SCHEMBL15502123 | 0.64 | — | — | |
| SCHEMBL22247105 | 0.63 | — | — | |
| SCHEMBL14463306 | 0.63 | CYP1A2 (0.34) | — | |
| SCHEMBL13384019 | 0.63 | — | — |
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-20230128195-A1 | SYNTHESIS OF HALICHONDRINS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-04-27 | — | — | US | disclosed |