⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26313702 | 0.77 | CYP1A2 (0.53) | — | |
| SCHEMBL850820 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL2941907 | 0.70 | — | — | |
| SCHEMBL11463811 | 0.70 | — | — | |
| SCHEMBL26313460 | 0.67 | NOS1 (0.44) | — | |
| SCHEMBL26315975 | 0.65 | HRH4 (0.52) | — | |
| SCHEMBL11940543 | 0.65 | — | — | |
| SCHEMBL7118773 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL12438332 | 0.63 | — | — | |
| SCHEMBL9829315 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1095039-B1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2003-08-27 | — | — | EP | claimed |
| EP-1042317-B1 | Indole derivatives as PKC-inhiboitors | ASTRAZENECA AB (SE) | 2003-05-14 | — | — | EP | claimed |