⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8119366 | 0.72 | — | — | |
| SCHEMBL5497435 | 0.68 | — | — | |
| SCHEMBL8167028 | 0.68 | — | — | |
| SCHEMBL46521 | 0.68 | — | — | |
| SCHEMBL11565210 | 0.68 | — | — | |
| SCHEMBL6775298 | 0.61 | — | — | |
| SCHEMBL8182444 | 0.58 | — | — | |
| SCHEMBL11559950 | 0.58 | — | — | |
| SCHEMBL4550163 | 0.56 | — | — | |
| SCHEMBL17201500 | 0.56 | ALDH1A1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4167575-A | BIOCIDES | ROHM AND HAAS COMPANY (US) | 1979-09-11 | — | — | US | disclosed |
| US-4053479-A | BIOCIDES | ROHM AND HAAS COMPANY (US) | 1977-10-11 | — | — | US | disclosed |
| US-3957808-A | BIOCIDES | ROHM AND HAAS COMPANY (US) | 1976-05-18 | — | — | US | disclosed |