⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20882771 | 0.77 | RECQL (0.32) | — | |
| SCHEMBL1790228 | 0.76 | — | — | |
| SCHEMBL2791750 | 0.76 | — | — | |
| SCHEMBL25682240 | 0.75 | MCL1 (0.41) | — | |
| SCHEMBL27317326 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL499585 | 0.75 | — | — | |
| SCHEMBL499584 | 0.75 | — | — | |
| SCHEMBL20960533 | 0.74 | KMT2A (0.50) | — | |
| SCHEMBL14527731 | 0.74 | — | — | |
| SCHEMBL21012046 | 0.74 | MCL1 (0.44) | — |
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-2927214-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |