⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8599221 | 0.75 | — | — | |
| SCHEMBL5698539 | 0.75 | — | — | |
| SCHEMBL4061103 | 0.75 | — | — | |
| SCHEMBL1030817 | 0.75 | — | — | |
| SCHEMBL75197 | 0.75 | — | — | |
| SCHEMBL10677998 | 0.71 | — | — | |
| SCHEMBL8881866 | 0.65 | — | — | |
| SCHEMBL15063872 | 0.65 | — | — | |
| SCHEMBL340338 | 0.65 | — | — | |
| SCHEMBL457230 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5010099-A | Immunomodulation; antitumor agents | HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) | 1991-04-23 | — | — | US | claimed |
| US-4939168-A | Discodermolide compounds, compositions containing same and methods of preparation and use | HARBOR BRANCH OCEANOGRAPHICS INSTITUTION, INC. (US) | 1990-07-03 | — | — | US | claimed |
| WO-1991001982-A1 | DISCODERMOLIDE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND METHODS OF PREPARATION AND USE | HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) | 1991-02-21 | — | — | WO | disclosed |
| US-4939168-A | Discodermolide compounds, compositions containing same and methods of preparation and use | HARBOR BRANCH OCEANOGRAPHICS INSTITUTION, INC. (US) | 1990-07-03 | — | — | US | disclosed |