⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15330568 | 0.85 | CYP1A2 (0.32) | — | |
| SCHEMBL29956242 | 0.84 | — | — | |
| SCHEMBL29951617 | 0.82 | — | — | |
| SCHEMBL15334103 | 0.82 | — | — | |
| SCHEMBL5641535 | 0.80 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL29955357 | 0.77 | L3MBTL1 (0.38) | — | |
| SCHEMBL15332670 | 0.76 | NPC1 (0.32) | — | |
| SCHEMBL29956148 | 0.75 | — | — | |
| SCHEMBL29957086 | 0.75 | — | — | |
| SCHEMBL15331198 | 0.73 | — | — |
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 |