⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10499910 | 1.00 | — | — | |
| SCHEMBL16548044 | 0.79 | — | — | |
| SCHEMBL17585904 | 0.79 | — | — | |
| SCHEMBL14719735 | 0.77 | — | — | |
| SCHEMBL6369258 | 0.76 | — | — | |
| SCHEMBL6369262 | 0.76 | — | — | |
| SCHEMBL15107095 | 0.72 | — | — | |
| SCHEMBL5847915 | 0.72 | CYP1A2 (0.35) | — | |
| SCHEMBL5847912 | 0.72 | CYP1A2 (0.35) | — | |
| SCHEMBL10290622 | 0.70 | SMN1; SMN2 (0.32) | — |
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-4835312-A | Production process of N-substituted amide compounds | MITSUI CHEMICALS, INCORPORATED (JP) | 1989-05-30 | — | — | US | disclosed |