⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8518241 | 0.83 | — | — | |
| SCHEMBL12838075 | 0.80 | — | — | |
| SCHEMBL21214215 | 0.80 | — | — | |
| SCHEMBL2726150 | 0.79 | — | — | |
| SCHEMBL1808141 | 0.78 | — | — | |
| SCHEMBL1811696 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL15808683 | 0.78 | ALOX15 (0.46) | — | |
| SCHEMBL1700065 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL14311820 | 0.78 | ALOX15 (0.46) | — | |
| SCHEMBL1782774 | 0.77 | — | — |
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-2675793-B1 | FAK INHIBITORS | CANCER THERAPEUTICS CRC PTY LTD (AU) | 2018-08-08 | — | — | EP | disclosed |