⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8835602 | 0.84 | CA12 (0.41) | — | |
| SCHEMBL7553692 | 0.75 | — | — | |
| Cyclohexylamine SCHEMBL29166025 | 0.70 | MMP8 (0.38) | — | |
| SCHEMBL11598346 | 0.66 | HTT (0.33) | — | |
| SCHEMBL16041149 | 0.63 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL10892467 | 0.63 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL2748224 | 0.63 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL64351 | 0.63 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL8763507 | 0.62 | — | — | |
| SCHEMBL16868378 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1497348-A1 | CATIONICALLY MODIFIED, ANIONIC POLYURETHANE DISPERSIONS | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003085020-A1 | CATIONICALLY MODIFIED, ANIONIC POLYURETHANE DISPERSIONS | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-16 | — | — | WO | disclosed |