⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29957733 | 1.00 | — | — | |
| SCHEMBL765704 | 1.00 | — | — | |
| SCHEMBL8246183 | 1.00 | — | — | |
| SCHEMBL12763449 | 0.91 | GABRR1 (0.48) | — | |
| SCHEMBL3350176 | 0.86 | GABRR1 (0.50) | — | |
| SCHEMBL1911431 | 0.86 | GABRR1 (0.50) | — | |
| SCHEMBL2411087 | 0.85 | ALOX5 (0.56) | — | |
| SCHEMBL3493080 | 0.85 | ALOX5 (0.56) | — | |
| SCHEMBL3493155 | 0.85 | ALOX5 (0.56) | — | |
| SCHEMBL24354392 | 0.83 | ALOX5 (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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |