⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28237461 | 0.77 | CYP3A4 (0.37) | — | |
| SCHEMBL8577723 | 0.74 | — | — | |
| SCHEMBL33699 | 0.74 | — | — | |
| SCHEMBL3480456 | 0.74 | — | — | |
| SCHEMBL20216837 | 0.73 | — | — | |
| SCHEMBL12858994 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7196448 | 0.73 | NOS3 (0.31) | — | |
| Bromide SCHEMBL30537821 | 0.73 | NOS3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL30881387 | 0.73 | HSD11B1 (0.31) | — | |
| SCHEMBL7537469 | 0.73 | — | — |
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-4577046-A | Deamination of aromatic amines | UNIVERSITY OF NEW MEXICO (US) | 1986-03-18 | — | — | US | disclosed |