⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18790941 | 0.75 | — | — | |
| SCHEMBL20067664 | 0.67 | — | — | |
| SCHEMBL4050156 | 0.65 | — | — | |
| SCHEMBL3724076 | 0.63 | — | — | |
| SCHEMBL21195124 | 0.62 | — | — | |
| SCHEMBL823032 | 0.62 | — | — | |
| SCHEMBL822913 | 0.62 | — | — | |
| SCHEMBL12216600 | 0.62 | — | — | |
| SCHEMBL8733053 | 0.62 | — | — | |
| SCHEMBL270023 | 0.62 | — | — |
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-0826000-B1 | PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES | DARWIN DISCOVERY LTD (GB) | 2002-10-23 | — | — | EP | disclosed |
| US-6110896-A | TRIPEPTIDYL DERIVATIVES HAVING A MERCAPTO OR ACYLTHIO GROUP AND WHICH ARE AMIDES; UTILITY AS MATRIX METALLOPROTEASE OR TNF INHIBITORS | DARWIN DISCOVERY, LTD. (GB) | 2000-08-29 | — | — | US | disclosed |