⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2592701 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL296436 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL3416195 | 0.75 | CA1 (0.42) | — | |
| SCHEMBL3415468 | 0.75 | CA1 (0.42) | — | |
| SCHEMBL8530196 | 0.75 | CA1 (0.42) | — | |
| SCHEMBL4473841 | 0.75 | CA1 (0.42) | — | |
| SCHEMBL3413582 | 0.75 | — | — | |
| SCHEMBL3415460 | 0.75 | CA1 (0.42) | — | |
| Cyclohexane SCHEMBL10804991 | 0.75 | CA1 (0.42) | — | |
| SCHEMBL221594 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0664306-A2 | A graft polymer dispersion having a third monomer and polyurethane foams having a reduced tendency to shrink once prepared thereby | BASF CORPORATION (US) | 1995-07-26 | — | — | EP | disclosed |