⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21431 | 0.83 | — | — | |
| SCHEMBL10716524 | 0.79 | — | — | |
| SCHEMBL6013309 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL11047119 | 0.79 | — | — | |
| SCHEMBL28043179 | 0.79 | — | — | |
| Propyne SCHEMBL5574883 | 0.77 | — | — | |
| Propene SCHEMBL28250702 | 0.75 | — | — | |
| Ethylene SCHEMBL27268231 | 0.75 | — | — | |
| Propyne SCHEMBL10933459 | 0.75 | — | — | |
| Propyne SCHEMBL9247236 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030204120-A1 | Selective hydrogenation process | CHEVRON PHILLIPS CHEMICAL COMPANY LP | 2003-10-30 | — | — | US | claimed |
| CN-110430938-A | Catalytic oxidation method and method for producing conjugated diene | MITSUBISHI CHEM CORP | 2019-11-08 | — | — | CN | disclosed |