⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27522184 | 0.74 | — | — | |
| SCHEMBL4965995 | 0.74 | — | — | |
| SCHEMBL30065764 | 0.69 | — | — | |
| SCHEMBL735065 | 0.69 | — | — | |
| SCHEMBL4869266 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL22836740 | 0.67 | — | — | |
| SCHEMBL8903061 | 0.63 | — | — | |
| SCHEMBL2171880 | 0.63 | ACHE (0.36) | — | |
| SCHEMBL10929586 | 0.60 | — | — | |
| SCHEMBL6671577 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11181316-A | — | — | None | — | — | JP | disclosed |
| JP-H11181316-A | DYE DISPERSANT | NIPPON PAPER INDUSTRIES CO LTD | 1999-07-06 | — | — | JP | disclosed |