⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28821656 | 0.85 | — | — | |
| Trimethylammonium SCHEMBL4279490 | 0.83 | — | — | |
| SCHEMBL28025977 | 0.82 | SPHK1 (0.30) | — | |
| SCHEMBL28025920 | 0.82 | SPHK1 (0.30) | — | |
| SCHEMBL27515659 | 0.80 | — | — | |
| SCHEMBL125173 | 0.80 | — | — | |
| Alcohol SCHEMBL28795035 | 0.78 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL28210464 | 0.78 | — | — | |
| SCHEMBL30711599 | 0.78 | — | — | |
| Water SCHEMBL28187598 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101809068-B | Method for applying a corrosion-inhibiting and/or adhesion-promoting coating to a metal and the resulting coated metal | MOMENTIVE PERFORMANCE MAT INC | 2015-07-01 | — | — | CN | disclosed |