⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37114 | 1.00 | — | — | |
| SCHEMBL36562 | 0.91 | — | — | |
| SCHEMBL29488430 | 0.91 | — | — | |
| SCHEMBL10914399 | 0.88 | GPR84 (0.50) | — | |
| Octane SCHEMBL11599254 | 0.88 | GPR84 (0.50) | — | |
| SCHEMBL9840524 | 0.88 | GPR84 (0.50) | — | |
| SCHEMBL11122819 | 0.88 | GPR84 (0.50) | — | |
| SCHEMBL10914190 | 0.88 | GPR84 (0.50) | — | |
| SCHEMBL21448909 | 0.88 | GPR84 (0.50) | — | |
| SCHEMBL11127461 | 0.88 | GPR84 (0.50) | — |
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-1287006-B1 | ANTITUMORAL COMPOUNDS | PHARMA MAR SA (ES) | 2007-10-24 | — | — | EP | disclosed |