⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7534555 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL28181475 | 0.77 | ALDH1A1 (0.33) | — | |
| Tetradecylamine SCHEMBL27594554 | 0.74 | DNM1 (0.46) | — | |
| SCHEMBL16541773 | 0.72 | THRB (0.36) | — | |
| SCHEMBL7526143 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL7530675 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL7902477 | 0.70 | CA2 (0.39) | — | |
| SCHEMBL11176471 | 0.69 | THRB (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL28111996 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL7526349 | 0.69 | DNM1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1152903-C | Solvent-free, radiation-curable, optical glass fiber coating compsn. and solvent-free method for making solvent-free, radiation-curable, optical glass fiber coating compsn. | DSM | 2004-06-09 | — | — | CN | disclosed |
| CN-1205718-A | Solvent-free, radiation-curable optical glass fiber coating composition and method for making same | DSM NV (NL) | 1999-01-20 | — | — | CN | disclosed |