⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL86312 | 1.00 | — | — | |
| SCHEMBL25275277 | 0.80 | GABBR2 (0.37) | — | |
| SCHEMBL19934655 | 0.80 | — | — | |
| SCHEMBL31589015 | 0.78 | — | — | |
| SCHEMBL1247692 | 0.78 | — | — | |
| SCHEMBL10532267 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL20186477 | 0.78 | — | — | |
| SCHEMBL11243089 | 0.78 | — | — | |
| SCHEMBL20186475 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL10763153 | 0.78 | ALDH1A1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5492641-A | INTERNAL COMBUSTION ENGINES | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-20 | — | — | US | disclosed |
| EP-0027209-A1 | N,N-dimethyl-N'-isobutyl-N'-beta-hydroxyethyl 1,3-propylene diamine, and process for its preparation | Ruhrchemie Aktiengesellschaft (DE) | 1981-04-22 | — | — | EP | disclosed |
| EP-0027209-A1 | N,N-dimethyl-N'-isobutyl-N'-beta-hydroxyethyl 1,3-propylene diamine, and process for its preparation | Ruhrchemie Aktiengesellschaft (DE) | 1981-04-22 | — | — | EP | disclosed |