⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20060210 | 0.89 | — | — | |
| SCHEMBL20060185 | 0.88 | — | — | |
| SCHEMBL20060150 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL20060200 | 0.78 | KMT2A (0.45) | — | |
| SCHEMBL20059933 | 0.70 | — | — | |
| SCHEMBL20059894 | 0.70 | TP53 (0.35) | — | |
| SCHEMBL20059942 | 0.68 | — | — | |
| SCHEMBL13100853 | 0.67 | MEN1 (0.44) | — | |
| SCHEMBL20060191 | 0.67 | — | — | |
| SCHEMBL20060019 | 0.67 | — | — |
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-2595987-B1 | NEW AMINOPYRAZOLOQUINAZOLINES | BOEHRINGER INGELHEIM INT (DE) | 2018-04-18 | — | — | EP | disclosed |