⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL763905 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL17375989 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL12245486 | 0.71 | — | — | |
| SCHEMBL12245492 | 0.71 | FUCA1 (0.31) | — | |
| Methylamine SCHEMBL7555450 | 0.71 | FUCA1 (0.31) | — | |
| SCHEMBL7739931 | 0.70 | — | — | |
| SCHEMBL7745088 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2377228 | 0.70 | FUCA1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2377177 | 0.70 | — | — | |
| SCHEMBL11273452 | 0.70 | — | — |
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-1093146-C | Method for forming coating on heat-sensitive substrate | VANDIC AG (CH) | 2002-10-23 | — | — | CN | disclosed |