⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9957680 | 1.00 | ALDH1A1 (0.39) | — | |
| SCHEMBL9958468 | 0.94 | — | — | |
| SCHEMBL974504 | 0.81 | — | — | |
| Tetrahydrofuran SCHEMBL28308429 | 0.81 | — | — | |
| SCHEMBL3951830 | 0.80 | ALDH1A1 (0.44) | — | |
| SCHEMBL1155 | 0.74 | — | — | |
| SCHEMBL15365152 | 0.74 | — | — | |
| SCHEMBL159647 | 0.73 | — | — | |
| SCHEMBL5084611 | 0.71 | — | — | |
| SCHEMBL29181673 | 0.71 | — | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682506-B1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMA (US) | 2009-12-30 | — | — | EP | claimed |
| EP-1399431-B1 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-02-18 | — | — | EP | claimed |
| EP-1682506-A1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-07-26 | — | — | EP | claimed |
| US-6982263-B2 | Nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-01-03 | — | — | US | claimed |
| US-20050113572-A1 | Dipeptide synthesis | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-05-26 | — | — | US | claimed |
| WO-2005044799-A1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-05-19 | — | — | WO | claimed |
| US-20050032772-A1 | Compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-02-10 | — | — | US | claimed |
| US-20030225270-A1 | Compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-12-04 | — | — | US | claimed |
| US-20030225271-A1 | Compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-12-04 | — | — | US | claimed |
| JP-2003529546-A | — | — | 2003-10-07 | — | — | JP | claimed |
| EP-1218372-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2003-07-02 | — | — | EP | claimed |
| US-20030119827-A1 | Novel nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-06-26 | — | — | US | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | claimed |
| US-20020058809-A1 | Compounds useful as reversible inhibitors of cysteine proteases | EMMANUEL MICHEL JOSE (US) | 2002-05-16 | — | — | US | claimed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | claimed |
| WO-2014102592-A2 | OXIME/SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-07-03 | — | — | WO | disclosed |
| EP-2706995-A2 | SMALL MOLECULE INHIBITORS OF TRPA1 | B.R.A.I.N. Biotechnology Research and Information Network AG (DE) | 2014-03-19 | — | — | EP | disclosed |
| WO-2002020485-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-03-14 | — | — | WO | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |