⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27088 | 0.89 | — | — | |
| Ethylene SCHEMBL30585191 | 0.86 | TRPA1 (0.31) | — | |
| Methane SCHEMBL15368123 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL9421239 | 0.86 | — | — | |
| Ethylene SCHEMBL11050095 | 0.86 | — | — | |
| SCHEMBL9545225 | 0.86 | — | — | |
| SCHEMBL30455714 | 0.86 | — | — | |
| SCHEMBL29214036 | 0.86 | — | — | |
| Formamide SCHEMBL8825934 | 0.84 | — | — | |
| Formamide SCHEMBL8826010 | 0.81 | MEN1 (0.32) | — |
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-5654478-A | DEESTERIFICATION OF A ALKENYL CARBOXYLATE WITH PRIMARY | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-05 | — | — | US | disclosed |