⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6627631 | 0.79 | — | — | |
| SCHEMBL1802826 | 0.79 | — | — | |
| Water SCHEMBL731137 | 0.79 | — | — | |
| SCHEMBL2820290 | 0.77 | — | — | |
| SCHEMBL21680839 | 0.77 | — | — | |
| SCHEMBL9954588 | 0.77 | — | — | |
| SCHEMBL15468360 | 0.77 | DPP4 (0.44) | — | |
| SCHEMBL11684560 | 0.75 | — | — | |
| SCHEMBL9662685 | 0.75 | DPP4 (0.47) | — | |
| SCHEMBL3558943 | 0.75 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040142999-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2004-07-22 | — | — | US | claimed |
| EP-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | claimed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | claimed |
| EP-3484464-B1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME (US) | 2020-10-28 | — | — | EP | disclosed |
| US-10442778-B2 | N1-phenylpropane-1,2-diamine compounds with selective activity in voltage-gated sodium channels | MERCK SHARP & DOHME CORP. (US) | 2019-10-15 | — | — | US | disclosed |
| EP-3484464-A1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | Merck Sharp & Dohme Corp. (US) | 2019-05-22 | — | — | EP | disclosed |
| US-20190092738-A1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2019-03-28 | — | — | US | disclosed |
| WO-2017165204-A1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2017-09-28 | — | — | WO | disclosed |
| EP-2251341-A1 | Heterocyclic Janus kinase 3 inhibitors | Astellas Pharma Inc. (JP) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |
| EP-1910358-A2 | HETEROCYCLIC JANUS KINASE 3 INHIBITORS | Astellas Pharma Inc. (JP) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007007919-A2 | HETEROCYCLIC JANUS KINASE 3 INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2007-01-18 | — | — | WO | disclosed |
| US-20040142999-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2004-07-22 | — | — | US | disclosed |
| EP-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |