⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3278905 | 0.92 | TRIM24 (0.35) | — | |
| SCHEMBL9862063 | 0.83 | — | — | |
| SCHEMBL3207460 | 0.81 | — | — | |
| SCHEMBL8165939 | 0.74 | — | — | |
| SCHEMBL3639125 | 0.67 | — | — | |
| Cyclopentane SCHEMBL9241252 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL18695294 | 0.65 | — | — | |
| SCHEMBL2404181 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL6063856 | 0.61 | — | — | |
| SCHEMBL9032363 | 0.61 | — | — |
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-6300306-B1 | TREATING HARD SURFACES, POLYOXYALKYLENE UNITS AND SULFONATEDPOLYAMIDES AND SULFONATED POLYFUNCTIONAL UNITS AND BINDING GROUPS WITH ESTER | RHODIA CHIMIE (FR) | 2001-10-09 | — | — | US | disclosed |