⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8663463 | 0.82 | — | — | |
| SCHEMBL8662286 | 0.78 | HTR2C (0.33) | — | |
| SCHEMBL8664859 | 0.76 | — | — | |
| SCHEMBL8663400 | 0.72 | KDM1A (0.34) | — | |
| SCHEMBL8804844 | 0.72 | KDM1A (0.34) | — | |
| SCHEMBL8664755 | 0.71 | — | — | |
| SCHEMBL20788739 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL8665200 | 0.68 | — | — | |
| SCHEMBL8664366 | 0.68 | — | — | |
| SCHEMBL30147954 | 0.66 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5783708-A | HEXAHYDROISOINDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-07-21 | — | — | US | claimed |
| EP-0721948-B1 | Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents | BAYER AG (DE) | 1997-12-03 | — | — | EP | claimed |
| EP-0721948-A1 | Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents | BAYER AG (DE) | 1996-07-17 | — | — | EP | claimed |
| US-5783708-A | HEXAHYDROISOINDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-07-21 | — | — | US | disclosed |
| US-5703094-A | Quinolone- and naphthyridonecarboxylic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-30 | — | — | US | disclosed |
| EP-0721948-B1 | Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents | BAYER AG (DE) | 1997-12-03 | — | — | EP | disclosed |
| EP-0721948-A1 | Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents | BAYER AG (DE) | 1996-07-17 | — | — | EP | disclosed |