⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL5147185 | 0.98 | — | — | |
| Ammonia Solution, Strong SCHEMBL1052444 | 0.91 | — | — | |
| SCHEMBL304751 | 0.88 | — | — | |
| Trimethylammonium SCHEMBL1933277 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL302819 | 0.80 | — | — | |
| SCHEMBL2285393 | 0.78 | GAA (0.36) | — | |
| SCHEMBL2281635 | 0.78 | GAA (0.36) | — | |
| SCHEMBL303934 | 0.78 | — | — | |
| SCHEMBL2286776 | 0.78 | GAA (0.36) | — | |
| SCHEMBL2280925 | 0.78 | GAA (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103314028-B | Process for producing aerogels or xerogels | BASF SE | 2015-06-17 | — | — | CN | disclosed |
| CN-103429647-A | Method for producing flame-proofed porous polyurea-based materials | BASF SE | 2013-12-04 | — | — | CN | disclosed |
| CN-103314028-A | Process for producing aerogels or xerogels | BASF SE | 2013-09-18 | — | — | CN | disclosed |
| CN-101679594-A | Heat insulation pipe | BASF SE | 2010-03-24 | — | — | CN | disclosed |