⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3285306 | 0.86 | — | — | |
| SCHEMBL1855187 | 0.75 | — | — | |
| SCHEMBL9209112 | 0.69 | — | — | |
| SCHEMBL6397638 | 0.69 | — | — | |
| SCHEMBL13640032 | 0.69 | CYP1A2 (0.33) | — | |
| SCHEMBL1030996 | 0.67 | CYP1A2 (0.37) | — | |
| SCHEMBL9133585 | 0.64 | — | — | |
| SCHEMBL2250034 | 0.64 | ALDH1A1 (0.46) | — | |
| SCHEMBL1028934 | 0.64 | — | — | |
| SCHEMBL1031650 | 0.64 | — | — |
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-6362181-B1 | BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS | WARNER-LAMBERT COMPANY | 2002-03-26 | — | — | US | disclosed |
| US-6177423-B1 | N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS | WARNER-LAMBERT COMPANY | 2001-01-23 | — | — | US | disclosed |
| US-4041032-A | ANTIEMATICS, GASTRIC MOTILITY STIMULANTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) | 1977-08-09 | — | — | US | disclosed |