⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23691509 | 0.77 | — | — | |
| SCHEMBL23691401 | 0.77 | — | — | |
| SCHEMBL334654 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL24799826 | 0.65 | — | — | |
| SCHEMBL26726102 | 0.64 | — | — | |
| SCHEMBL20631348 | 0.64 | PPM1D (0.31) | — | |
| SCHEMBL22036870 | 0.63 | PPM1D (0.31) | — | |
| SCHEMBL20632065 | 0.62 | PPM1D (0.33) | — | |
| SCHEMBL26471327 | 0.62 | PPM1D (0.33) | — | |
| SCHEMBL6630680 | 0.60 | CA2 (0.36) | — |
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-2019010363-A1 | SYNTHESIS OF HALICHONDRINS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2019-01-10 | — | — | WO | disclosed |