⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6719342 | 0.94 | — | — | |
| SCHEMBL6723851 | 0.94 | — | — | |
| SCHEMBL2870672 | 0.90 | — | — | |
| SCHEMBL2870342 | 0.88 | — | — | |
| SCHEMBL2873181 | 0.88 | TTR (0.64) | — | |
| SCHEMBL9240277 | 0.85 | — | — | |
| SCHEMBL30192250 | 0.85 | — | — | |
| SCHEMBL29355306 | 0.84 | — | — | |
| SCHEMBL2873993 | 0.84 | — | — | |
| SCHEMBL7551950 | 0.83 | TTR (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002050008-A2 | NON-HALOGENATED PHENOXY AND/OR BENZYLOXY PHENOLS AND ANTIMICROBIAL COMPOSITIONS CONTAINING THEM | WARNER-LAMBERT COMPANY LLC (US) | 2002-06-27 | — | — | WO | claimed |
| WO-2002050008-A2 | NON-HALOGENATED PHENOXY AND/OR BENZYLOXY PHENOLS AND ANTIMICROBIAL COMPOSITIONS CONTAINING THEM | WARNER-LAMBERT COMPANY LLC (US) | 2002-06-27 | — | — | WO | disclosed |