⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29955277 | 0.81 | CA2 (0.31) | — | |
| SCHEMBL29958166 | 0.79 | — | — | |
| SCHEMBL29957618 | 0.69 | ENPP2 (0.36) | — | |
| SCHEMBL4720217 | 0.67 | BRD4 (0.32) | — | |
| SCHEMBL7325942 | 0.64 | CA1 (0.37) | — | |
| SCHEMBL101282 | 0.63 | CA2 (0.31) | — | |
| SCHEMBL29951022 | 0.63 | — | — | |
| SCHEMBL29954037 | 0.59 | — | — | |
| SCHEMBL28592362 | 0.59 | MEN1 (0.32) | — | |
| SCHEMBL29957024 | 0.57 | — | — |
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 |