⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20177609 | 0.88 | FPR2 (0.31) | — | |
| SCHEMBL20177702 | 0.88 | — | — | |
| SCHEMBL27038939 | 0.70 | NISCH (0.45) | — | |
| SCHEMBL19559545 | 0.67 | FPR2 (0.33) | — | |
| SCHEMBL20408777 | 0.63 | FPR2 (0.31) | — | |
| SCHEMBL17514687 | 0.59 | KDM1A (0.35) | — | |
| SCHEMBL20177582 | 0.59 | TAAR1 (0.39) | — | |
| SCHEMBL15192899 | 0.59 | KDM1A (0.32) | — | |
| SCHEMBL18338530 | 0.57 | CYP2D6 (0.46) | — | |
| SCHEMBL15779164 | 0.57 | KDM1A (0.40) | — |
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 |