⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29953079 | 0.79 | — | — | |
| SCHEMBL11501362 | 0.74 | CHRNB2 (0.39) | — | |
| SCHEMBL13850386 | 0.73 | PARP1 (0.32) | — | |
| SCHEMBL6108591 | 0.73 | PARP1 (0.32) | — | |
| SCHEMBL29953388 | 0.73 | — | — | |
| SCHEMBL14234019 | 0.73 | L3MBTL1 (0.35) | — | |
| SCHEMBL17346685 | 0.72 | CHRM4 (0.31) | — | |
| SCHEMBL24244471 | 0.71 | PSEN1 (0.33) | — | |
| SCHEMBL29005240 | 0.70 | — | — | |
| SCHEMBL27927683 | 0.70 | SHBG (0.30) | — |
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-2167492-B1 | NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS | HANMI SCIENCE CO LTD (KR) | 2015-10-14 | — | — | EP | disclosed |