⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17607489 | 0.82 | — | — | |
| SCHEMBL27273272 | 0.80 | — | — | |
| SCHEMBL20341172 | 0.77 | — | — | |
| SCHEMBL3455968 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL497672 | 0.75 | — | — | |
| SCHEMBL21925349 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL17607738 | 0.70 | — | — | |
| SCHEMBL1971553 | 0.70 | — | — | |
| SCHEMBL1972020 | 0.70 | — | — | |
| SCHEMBL598036 | 0.69 | TSHR (0.32) | — |
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-1119351-B1 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | GRUENENTHAL GMBH (DE) | 2003-05-02 | — | — | EP | disclosed |
| US-6509368-B1 | Use of catechol derivatives as proteinase inhibitors | GRUENENTHAL GMBH (DE) | 2003-01-21 | — | — | US | disclosed |
| EP-1119351-A2 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | Grünenthal GmbH (DE) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000019989-A2 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | Grünenthal GmbH (DE) | 2000-04-13 | — | — | WO | disclosed |