⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL954134 | 0.72 | ERN1 (0.50) | — | |
| SCHEMBL1786644 | 0.71 | — | — | |
| SCHEMBL26453265 | 0.71 | — | — | |
| SCHEMBL18106651 | 0.71 | HTR1A (0.35) | — | |
| SCHEMBL18106693 | 0.69 | DRD1 (0.44) | — | |
| SCHEMBL2253364 | 0.69 | DRD2 (0.32) | — | |
| SCHEMBL14683280 | 0.69 | ERN1 (0.32) | — | |
| SCHEMBL21286210 | 0.68 | MRGPRX4 (0.37) | — | |
| SCHEMBL29125656 | 0.68 | ERN1 (0.34) | — | |
| SCHEMBL28634992 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |