⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18894158 | 0.82 | SIRT1 (0.31) | — | |
| SCHEMBL18894139 | 0.79 | NOTUM (0.33) | — | |
| SCHEMBL8563838 | 0.76 | SIRT1 (0.30) | — | |
| SCHEMBL8558658 | 0.74 | CCNB2 (0.37) | — | |
| SCHEMBL10832750 | 0.72 | MEN1 (0.30) | — | |
| SCHEMBL8564117 | 0.71 | CCNB2 (0.41) | — | |
| SCHEMBL6032862 | 0.66 | PDE3B (0.30) | — | |
| SCHEMBL10026846 | 0.66 | ESR1 (0.33) | — | |
| SCHEMBL1886180 | 0.65 | PSMB8 (0.41) | — | |
| SCHEMBL6980883 | 0.63 | TAAR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821675-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033176-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-24 | — | — | WO | disclosed |