⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26038842 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL26038843 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL26038846 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL17835277 | 0.82 | CYP2D6 (0.31) | — | |
| SCHEMBL14528506 | 0.82 | CYP2D6 (0.31) | — | |
| SCHEMBL10901524 | 0.79 | — | — | |
| SCHEMBL17858370 | 0.78 | — | — | |
| SCHEMBL14453575 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL268483 | 0.76 | — | — | |
| SCHEMBL18685166 | 0.76 | — | — |
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-2561867-A1 | CDK9 inhibitors in the treatment of midline carcinoma | Lead Discovery Center GmbH (DE) | 2013-02-27 | — | — | EP | disclosed |