⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7303021 | 0.83 | — | — | |
| SCHEMBL7293329 | 0.72 | — | — | |
| SCHEMBL8651546 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL7293324 | 0.69 | — | — | |
| SCHEMBL19919935 | 0.68 | — | — | |
| SCHEMBL25176906 | 0.67 | APLNR (0.31) | — | |
| SCHEMBL8221420 | 0.67 | APLNR (0.31) | — | |
| SCHEMBL15717701 | 0.67 | APLNR (0.31) | — | |
| SCHEMBL7274160 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL7419226 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0649432-B1 | FLUORINE COMPRISING DIPEPTIDES AS INHIBITORS AGAINST HUMAN LEUCOCYTE ELASTASE INHIBITORS | ZENECA LTD (GB) | 1998-09-16 | — | — | EP | disclosed |
| EP-0652892-B1 | LACTAM DIPEPTIDES HAVING HLE INHIBITING ACTIVITY | ZENECA LTD (GB) | 1997-08-20 | — | — | EP | disclosed |
| EP-0509769-B1 | Heterocyclic amides having HLE inhibiting activity | ZENECA LTD (GB) | 1996-09-11 | — | — | EP | disclosed |