⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44638 | 0.76 | — | — | |
| SCHEMBL11667114 | 0.73 | — | — | |
| SCHEMBL60018 | 0.73 | — | — | |
| SCHEMBL31094050 | 0.71 | — | — | |
| SCHEMBL8619333 | 0.71 | — | — | |
| SCHEMBL31193668 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28767127 | 0.71 | — | — | |
| Bromide SCHEMBL28080932 | 0.71 | — | — | |
| SCHEMBL19639024 | 0.69 | — | — | |
| SCHEMBL27958795 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4981604-A | POLYOXYALKYLENEDIAMINE, ANHYDRIDE, HETEROCYCLIC AZOLE | TEXACO INC. (US) | 1991-01-01 | — | — | US | claimed |