⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17802618 | 0.78 | — | — | |
| SCHEMBL28318455 | 0.75 | — | — | |
| SCHEMBL28370555 | 0.75 | — | — | |
| SCHEMBL11748072 | 0.72 | GRM4 (0.30) | — | |
| SCHEMBL10352782 | 0.71 | — | — | |
| SCHEMBL4995457 | 0.71 | CYP3A4 (0.38) | — | |
| Methylamine SCHEMBL27983481 | 0.70 | — | — | |
| SCHEMBL4227473 | 0.68 | — | — | |
| SCHEMBL30173231 | 0.68 | — | — | |
| SCHEMBL27592951 | 0.68 | — | — |
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-0013936-B1 | REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS | BAYER AG (DE) | 1982-09-22 | — | — | EP | disclosed |