⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7775509 | 0.92 | — | — | |
| SCHEMBL7782673 | 0.90 | — | — | |
| SCHEMBL400876 | 0.65 | — | — | |
| SCHEMBL3229669 | 0.65 | — | — | |
| SCHEMBL5424409 | 0.64 | — | — | |
| SCHEMBL8578122 | 0.62 | — | — | |
| SCHEMBL4702340 | 0.62 | — | — | |
| SCHEMBL1304516 | 0.61 | — | — | |
| SCHEMBL11330592 | 0.59 | — | — | |
| SCHEMBL8993554 | 0.56 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040014796-A1 | Novel compounds and compositions as cathepsin S inhititors | AXYS PHARMACEUTICALS, INC. | 2004-01-22 | — | — | US | disclosed |
| US-6492362-B1 | Compounds and compositions as cathepsin S inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-12-10 | — | — | US | disclosed |
| EP-1212302-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-06-12 | — | — | EP | disclosed |
| EP-0825167-B1 | COMPOUNDS AND SURFACTANTS | ASAHI DENKA KOGYO KK (JP) | 2001-10-04 | — | — | EP | disclosed |
| WO-2001019796-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |
| US-5929290-A | A HYDROPHILIC POLYETHER HAVING A FLUORO-SUBSTITUTED ALKYL END GROUP AND A (METH)ALLYL GLYCIDYL END GROUP; EMULSIFIERS AND DISPERSANTS FOR EMULSION AND SUSPENSION POLYMERIZATION, RESP.; RESIN REFORMING AGENTS; ANTISOILANTS FOR POLYESTERS | ASAHI DENKA KOGYO K. K. (JP) | 1999-07-27 | — | — | US | disclosed |
| EP-0825167-A1 | COMPOUNDS AND SURFACTANTS | ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) | 1998-02-25 | — | — | EP | disclosed |