⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3803374 | 0.70 | FFAR1 (0.49) | — | |
| SCHEMBL15013657 | 0.69 | — | — | |
| SCHEMBL15013659 | 0.69 | — | — | |
| SCHEMBL3626300 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL21560 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL642466 | 0.68 | — | — | |
| SCHEMBL2935858 | 0.68 | — | — | |
| SCHEMBL2250057 | 0.67 | — | — | |
| SCHEMBL2248136 | 0.67 | — | — | |
| SCHEMBL2248126 | 0.67 | — | — |
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-4792574-A | Stable, low viscosity polymer/polyisocyanate dispersion made using a macromolecular monomer and a functional monomer | OLIN CORPORATION (US) | 1988-12-20 | — | — | US | disclosed |