⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL22505630 | 0.86 | PKM (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL16050159 | 0.82 | PDK1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL4114059 | 0.82 | PDK1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL3862637 | 0.80 | PDK1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL18660259 | 0.77 | TRPV1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL3489174 | 0.77 | HDAC6 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6300350 | 0.76 | — | — | |
| Trifluoroacetic Acid SCHEMBL18693104 | 0.76 | EPHX2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL22042888 | 0.74 | — | — | |
| Trifluoroacetic Acid SCHEMBL4513278 | 0.73 | EPHX1 (0.49) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421826-B1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-8163793-B2 | Proline derivatives | HOFFMAN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| 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 |
| US-20100267722-A1 | NOVEL PROLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-21 | — | — | US | disclosed |
| US-20100094000-A1 | PYRAZOLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-15 | — | — | US | disclosed |
| US-20090054413-A1 | Novel 5,6-Dihydropyrazolo[3,4-E] [L,4]Diazepin-4 (IH) -One Derivatives for the Treatment of Asthma and Chronic Obstructive Pulmonary Disease | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | US | disclosed |
| EP-1931672-A1 | NOVEL 5,6-DIHYDROPYRAZOLO[3,4-E] [L,4]DIAZEPIN-4 (IH) -ONE DERIVATIVES FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE. | AstraZeneca AB (SE) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007040435-A1 | NOVEL 5,6-DIHYDROPYRAZOLO[3,4-E] [L,4]DIAZEPIN-4 (IH) -ONE DERIVATIVES FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE. | ASTRAZENECA AB (SE) | 2007-04-12 | — | — | WO | disclosed |