⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29953441 | 0.91 | — | — | |
| SCHEMBL29957550 | 0.90 | — | — | |
| SCHEMBL748421 | 0.84 | — | — | |
| SCHEMBL15331915 | 0.82 | HTR2C (0.32) | — | |
| SCHEMBL29950783 | 0.80 | — | — | |
| SCHEMBL29956676 | 0.78 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL28461548 | 0.78 | — | — | |
| SCHEMBL29954847 | 0.77 | MPO (0.31) | — | |
| SCHEMBL756337 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL29955801 | 0.76 | — | — |
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 |