⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL27830702 | 0.83 | — | — | |
| SCHEMBL29068711 | 0.80 | — | — | |
| SCHEMBL28048547 | 0.80 | — | — | |
| Ethylene SCHEMBL27609697 | 0.78 | — | — | |
| SCHEMBL35059 | 0.78 | — | — | |
| SCHEMBL15525002 | 0.78 | — | — | |
| SCHEMBL29000819 | 0.75 | — | — | |
| SCHEMBL10712579 | 0.73 | — | — | |
| Bromide SCHEMBL7626628 | 0.73 | — | — | |
| SCHEMBL10713770 | 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 |
|---|---|---|---|---|---|---|---|
| CN-103626914-B | Pour point and viscosity reducing agent and preparation method thereof | PETROCHINA COMPANY LIMITED (CN) | 2015-12-30 | — | — | CN | disclosed |