⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5691374 | 0.93 | CYP1A2 (0.48) | — | |
| SCHEMBL129995 | 0.93 | — | — | |
| Ethylamine SCHEMBL7195532 | 0.90 | — | — | |
| SCHEMBL7900555 | 0.90 | CYP1A2 (0.46) | — | |
| SCHEMBL7900557 | 0.90 | CYP1A2 (0.46) | — | |
| Water SCHEMBL7795513 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL5679875 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL267680 | 0.90 | — | — | |
| Phosphine SCHEMBL21352349 | 0.90 | — | — | |
| SCHEMBL10479877 | 0.90 | CYP1A2 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111971269-B | Reaction of glycolaldehyde | 塔明克私人有限公司 | 2024-02-13 | — | — | CN | disclosed |
| US-6559343-B1 | Reacting cyclobutane-1,3-dione with silylation agent in presence of base; acetylation in presence of Lewis acid catalyst; cyclization | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-06 | — | — | US | disclosed |