⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11329295 | 0.77 | — | — | |
| SCHEMBL2807767 | 0.74 | MGLL (0.36) | — | |
| SCHEMBL2807766 | 0.74 | FAAH (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL28488112 | 0.73 | PPARA (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL11204071 | 0.70 | — | — | |
| SCHEMBL28676763 | 0.69 | CYP3A4 (0.38) | — | |
| SCHEMBL28384498 | 0.69 | CYP3A4 (0.38) | — | |
| SCHEMBL5881243 | 0.69 | CYP3A4 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL28488110 | 0.69 | PPARA (0.33) | — | |
| SCHEMBL7238489 | 0.68 | TP53 (0.33) | — |
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-4474668-A | OXIDIZED POLYETHYLENE, CATIONIC EMULSIFIER, CARBOXYLIC ACID | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1984-10-02 | — | — | US | disclosed |