Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Butylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Butylamine SCHEMBL434769 | 0.96 | — | — | |
| Butylamine SCHEMBL27667859 | 0.96 | — | — | |
| Butylamine SCHEMBL8828300 | 0.96 | — | — | |
| Butylamine SCHEMBL29775127 | 0.92 | DNM1 (0.69) | — | |
| Butylamine SCHEMBL20553767 | 0.92 | — | — | |
| Butylamine SCHEMBL7702605 | 0.92 | — | — | |
| Butylamine SCHEMBL18340526 | 0.92 | — | — | |
| Butylamine SCHEMBL8352628 | 0.92 | DNM1 (0.71) | — | |
| Butylamine SCHEMBL8559 | 0.92 | — | — | |
| Butylamine SCHEMBL4491861 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1956026-A1 | IONIC LIQUID CONTAINING PHOSPHONIUM CATION HAVING P-N BOND AND METHOD FOR PRODUCING SAME | Kanto Denka Kogyo CO., LTD. (JP) | 2008-08-13 | — | — | EP | disclosed |