⚠ 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 | |
|---|---|---|---|---|
| Propylamine SCHEMBL14855846 | 1.00 | DNM1 (0.39) | — | |
| Propylamine SCHEMBL31540164 | 0.87 | — | — | |
| Propylamine SCHEMBL4614010 | 0.82 | — | — | |
| Ethylamine SCHEMBL16514057 | 0.82 | ALDH1A1 (0.33) | — | |
| Ethylamine SCHEMBL3751080 | 0.82 | — | — | |
| Propylamine SCHEMBL136197 | 0.82 | — | — | |
| Propylamine SCHEMBL136198 | 0.82 | DNM1 (0.44) | — | |
| Propylamine SCHEMBL3243463 | 0.82 | — | — | |
| Butylamine SCHEMBL27648872 | 0.82 | DNM1 (0.56) | — | |
| Propylamine SCHEMBL448871 | 0.82 | — | — |
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-4100112-A | Process for the production of amine silicate compounds and their resinous condensation products | BLOUNT DAVID H | 1978-07-11 | — | — | US | disclosed |