⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78483 | 0.83 | — | — | |
| SCHEMBL2579 | 0.80 | — | — | |
| SCHEMBL3410 | 0.76 | — | — | |
| Methylamine SCHEMBL10877320 | 0.74 | ALOX15 (0.32) | — | |
| SCHEMBL12434653 | 0.72 | TSHR (0.37) | — | |
| Dimethylamine SCHEMBL27490051 | 0.71 | — | — | |
| Ethylamine SCHEMBL11779518 | 0.71 | ALOX15 (0.30) | — | |
| Tert-Butylamine SCHEMBL10877117 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL9180791 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL15140220 | 0.67 | ALDH1A1 (0.65) | — |
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-6376559-B1 | SILICA SOL IN SOLVENT | BASF NOF COATINGS CO., LTD. (JP) | 2002-04-23 | — | — | US | disclosed |