⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15956094 | 0.81 | CES2 (0.49) | — | |
| SCHEMBL14845241 | 0.79 | CES2 (0.50) | — | |
| SCHEMBL7486005 | 0.79 | STAT3 (0.33) | — | |
| SCHEMBL1931609 | 0.76 | CES2 (0.47) | — | |
| SCHEMBL1012187 | 0.71 | CES2 (0.52) | — | |
| SCHEMBL1012189 | 0.71 | CES2 (0.52) | — | |
| SCHEMBL19971377 | 0.71 | PIK3C3 (0.33) | — | |
| SCHEMBL21239984 | 0.70 | CES2 (0.43) | — | |
| SCHEMBL30471619 | 0.70 | CES2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL27770184 | 0.70 | CES2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6869965-B2 | Such as 2-methylpropyl-(4-bromo-3-fluorophenyl)carbamate | PHARMACIA & UPJOHN COMPANY (US) | 2005-03-22 | — | — | US | disclosed |
| US-20040215017-A1 | Antimicrobial quinolone derivatives and use of the same to treat bacterial infections | PHARMACIA & UPJOHN COMPANY | 2004-10-28 | — | — | US | disclosed |
| US-6689769-B2 | BACTERICIDES | PHARMACIA & UPJOHN COMPANY | 2004-02-10 | — | — | US | disclosed |
| US-20030013737-A1 | Antimicrobial quinolone derivatives and use of the same to treat bacterial infections | PHARMACIA & UPJOHN COMPANY | 2003-01-16 | — | — | US | disclosed |