⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1485878 | 0.97 | — | — | |
| SCHEMBL29433246 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10868171 | 0.94 | — | — | |
| SCHEMBL20635250 | 0.82 | SLC6A2 (0.40) | — | |
| SCHEMBL27041556 | 0.81 | — | — | |
| SCHEMBL466702 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL25347977 | 0.79 | — | — | |
| SCHEMBL7796157 | 0.79 | — | — | |
| SCHEMBL1535983 | 0.79 | — | — | |
| SCHEMBL4424346 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0899006-B1 | Liquid amine composition for emulsifiers for bitumen | KAO CORP (JP) | 2003-10-29 | — | — | EP | disclosed |
| US-6048905-A | CONTROLLED VISCOSITY ADJUVANT MIXTURES WHICH ACT AS STABILIZERS AND/OR ADHESIVES TO PROMOTE EASE OF HANDLING IN ASPHALT MIXTURES | KAO CORPORATION (JP) | 2000-04-11 | — | — | US | disclosed |
| EP-0899006-A2 | Liquid amine composition for emulsifiers for bitumen | Kao Corporation (JP) | 1999-03-03 | — | — | EP | disclosed |