⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2396461 | 0.78 | EPHX2 (0.45) | — | |
| SCHEMBL15782690 | 0.74 | — | — | |
| SCHEMBL1241643 | 0.74 | — | — | |
| SCHEMBL17194142 | 0.74 | — | — | |
| SCHEMBL8280475 | 0.74 | — | — | |
| SCHEMBL11888518 | 0.74 | — | — | |
| SCHEMBL14993971 | 0.74 | EPHX1 (0.46) | — | |
| SCHEMBL13503464 | 0.74 | — | — | |
| SCHEMBL13211933 | 0.74 | — | — | |
| SCHEMBL12955504 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0582810-A1 | Novel 7-(substituted)-8-(substituted)-9-(substituted amino)-6-demethyl-6-deoxyetracyclines as antibiotic agents | AMERICAN CYANAMID COMPANY (US) | 1994-02-16 | — | — | EP | claimed |
| EP-1028961-A1 | PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS | SMITHKLINE BEECHAM PLC (GB) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999021855-A1 | PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-05-06 | — | — | WO | disclosed |
| US-3939162-A | Anthrapyrimidine dyes | BASF AKTIENGESELLSCHAFT (DT) | 1976-02-17 | — | — | US | disclosed |