⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6858080 | 0.85 | MMP1 (0.52) | — | |
| SCHEMBL24359054 | 0.82 | — | — | |
| SCHEMBL16478396 | 0.80 | MMP1 (0.40) | — | |
| SCHEMBL17333520 | 0.80 | — | — | |
| SCHEMBL14902293 | 0.79 | MMP1 (0.39) | — | |
| SCHEMBL3414867 | 0.78 | — | — | |
| SCHEMBL583601 | 0.78 | — | — | |
| SCHEMBL6940482 | 0.78 | MMP1 (0.46) | — | |
| SCHEMBL6850994 | 0.76 | NPC1 (0.47) | — | |
| SCHEMBL25766357 | 0.76 | MMP1 (0.44) | — |
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-6835714-B1 | Heterocyclic compounds, intermediates thereof and elastase inhibitors | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2004-12-28 | — | — | US | disclosed |
| EP-1157998-B1 | HETEROCYCLIC COMPOUNDS, INTERMEDIATES THEREOF AND ELASTASE INHIBITORS | DAINIPPON PHARMACEUTICAL CO (JP) | 2004-02-11 | — | — | EP | disclosed |
| EP-1157998-A1 | HETEROCYCLIC COMPOUNDS, INTERMEDIATES THEREOF AND ELASTASE INHIBITORS | Dainippon Pharmaceutical Co., Ltd. (JP) | 2001-11-28 | — | — | EP | disclosed |