⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL257008 | 0.79 | — | — | |
| SCHEMBL3634152 | 0.70 | — | — | |
| SCHEMBL38663400 | 0.67 | — | — | |
| SCHEMBL14573468 | 0.65 | — | — | |
| SCHEMBL19260288 | 0.65 | — | — | |
| SCHEMBL4777648 | 0.64 | CHRM2 (0.30) | — | |
| SCHEMBL7339263 | 0.62 | — | — | |
| SCHEMBL9853258 | 0.61 | — | — | |
| SCHEMBL23346791 | 0.59 | — | — | |
| SCHEMBL3852718 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111741752-A | GPCR heteromer inhibitors and uses thereof | GPCR治疗公司 | 2020-10-02 | — | — | CN | disclosed |