⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24613027 | 0.89 | MEN1 (0.30) | — | |
| SCHEMBL16525693 | 0.77 | — | — | |
| SCHEMBL26193250 | 0.67 | KMT2A (0.41) | — | |
| SCHEMBL24613003 | 0.67 | CYP1A2 (0.38) | — | |
| SCHEMBL14922940 | 0.66 | DRD2 (0.41) | — | |
| SCHEMBL17916661 | 0.65 | P2RX7 (0.38) | — | |
| SCHEMBL24613006 | 0.65 | ACACB (0.34) | — | |
| SCHEMBL16525722 | 0.65 | — | — | |
| SCHEMBL16358023 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL13977951 | 0.64 | AGXT (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160199875-A1 | Carbene-Functionalized Composite Materials | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2016-07-14 | — | — | US | disclosed |