⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11566537 | 1.00 | — | — | |
| SCHEMBL8860104 | 1.00 | — | — | |
| SCHEMBL11444174 | 0.91 | — | — | |
| SCHEMBL11563114 | 0.73 | — | — | |
| SCHEMBL11563112 | 0.73 | — | — | |
| SCHEMBL11563105 | 0.73 | — | — | |
| SCHEMBL2178552 | 0.72 | — | — | |
| SCHEMBL17383333 | 0.72 | — | — | |
| SCHEMBL27497350 | 0.72 | — | — | |
| SCHEMBL8463201 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997047200-A1 | WIDE RANGE CLEANING AND DISINFECTING PREPARATIONS | ABRAHAM WEITZMAN (CA) | 1997-12-18 | — | — | WO | disclosed |
| US-4175187-A | REACTING ETHYLENE, SUBSTITUTED ETHYLENE WITH A SECONDARY AMINE AND A PALLADIUM CATALYST | UNIVERSITY OF DELAWARE (US) | 1979-11-20 | — | — | US | disclosed |