⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2301142 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7615191 | 0.97 | — | — | |
| SCHEMBL27740707 | 0.97 | — | — | |
| SCHEMBL3971398 | 0.97 | — | — | |
| SCHEMBL27740660 | 0.91 | — | — | |
| SCHEMBL2299291 | 0.90 | — | — | |
| Toluene SCHEMBL27771933 | 0.87 | — | — | |
| SCHEMBL27771935 | 0.84 | SMN1; SMN2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL7406597 | 0.82 | — | — | |
| SCHEMBL2304228 | 0.80 | LMNA (0.30) | — |
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-2536408-A1 | EFFLUX PUMP INHIBITORS | Wockhardt Research Centre (IN) | 2012-12-26 | — | — | EP | claimed |
| WO-2011101710-A1 | EFFLUX PUMP INHIBITORS | WOCKHARDT RESEARCH CENTRE (IN) | 2011-08-25 | — | — | WO | claimed |
| EP-2536408-A1 | EFFLUX PUMP INHIBITORS | Wockhardt Research Centre (IN) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101710-A1 | EFFLUX PUMP INHIBITORS | WOCKHARDT RESEARCH CENTRE (IN) | 2011-08-25 | — | — | WO | disclosed |