⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18598921 | 1.00 | — | — | |
| SCHEMBL3850603 | 0.82 | GPR84 (0.35) | — | |
| SCHEMBL10204477 | 0.81 | GPR84 (0.36) | — | |
| SCHEMBL11422586 | 0.81 | GPR84 (0.36) | — | |
| SCHEMBL11540278 | 0.78 | — | — | |
| SCHEMBL11563120 | 0.78 | — | — | |
| SCHEMBL7121917 | 0.78 | — | — | |
| SCHEMBL18057566 | 0.78 | — | — | |
| SCHEMBL17146327 | 0.78 | — | — | |
| SCHEMBL151525 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1221445-B1 | PENTACYCLIC TAXANE COMPOUNDS | DAIICHI SANKYO CO LTD (JP) | 2008-08-20 | — | — | EP | disclosed |