⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24851905 | 0.68 | — | — | |
| SCHEMBL17055584 | 0.63 | INMT (0.32) | — | |
| SCHEMBL24584121 | 0.59 | — | — | |
| SCHEMBL16812163 | 0.57 | — | — | |
| SCHEMBL905137 | 0.55 | — | — | |
| SCHEMBL14097522 | 0.55 | — | — | |
| SCHEMBL9928127 | 0.54 | — | — | |
| SCHEMBL8998692 | 0.54 | GRIN1 (0.37) | — | |
| SCHEMBL322634 | 0.53 | — | — | |
| SCHEMBL15499280 | 0.53 | — | — |
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-2021027503-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE AND USE THEREOF | 罗欣药业(上海)有限公司 | 2021-02-18 | — | — | WO | disclosed |