⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3806113 | 0.98 | — | — | |
| SCHEMBL1183833 | 0.93 | — | — | |
| SCHEMBL670417 | 0.88 | — | — | |
| SCHEMBL2416338 | 0.79 | — | — | |
| SCHEMBL1464424 | 0.77 | — | — | |
| SCHEMBL25509614 | 0.74 | TDP1 (0.31) | — | |
| SCHEMBL1448083 | 0.73 | — | — | |
| SCHEMBL28022101 | 0.71 | — | — | |
| SCHEMBL18365239 | 0.70 | TDP1 (0.31) | — | |
| SCHEMBL27920777 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |
| EP-1955991-A2 | Preparation of organic compounds bearing a trifluoromethyl group on a quaternary carbon | Air Products and Chemicals, Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| US-20080188689-A1 | Preparation of organic compounds bearing a trifluoromethyl group on a quaternary carbon | VERSUM MATERIALS US, LLC | 2008-08-07 | — | — | US | disclosed |
| US-5962002-A | 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS | BTG INTERNATIONAL LIMITED (GB) | 1999-10-05 | — | — | US | disclosed |
| EP-0802730-B1 | PESTICIDAL COMPOUNDS | BTG INT LTD (GB) | 1999-06-23 | — | — | EP | disclosed |
| EP-0802730-A1 | PESTICIDAL COMPOUNDS | BTG INTERNATIONAL LIMITED (GB) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021355-A1 | PESTICIDAL COMPOUNDS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1996-07-18 | — | — | WO | disclosed |