⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5663155 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL27457767 | 0.75 | — | — | |
| SCHEMBL11314725 | 0.73 | — | — | |
| SCHEMBL11046280 | 0.73 | — | — | |
| SCHEMBL4924526 | 0.73 | — | — | |
| SCHEMBL11146118 | 0.73 | — | — | |
| SCHEMBL4420858 | 0.71 | TSHR (0.32) | — | |
| 2-Methylbutanal SCHEMBL4507667 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL8070462 | 0.69 | — | — | |
| SCHEMBL9776319 | 0.67 | LMNA (0.42) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7767840-B2 | Organometallic compounds | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2010-08-03 | — | — | US | claimed |
| EP-1756271-B1 | METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES | CSIR (ZA) | 2015-12-09 | — | — | EP | disclosed |
| EP-1753862-B1 | METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM MESO-EPOXIDES | CSIR (ZA) | 2015-11-18 | — | — | EP | disclosed |
| EP-2842948-A1 | Novel compounds and compositions and methods of use | Ardea Biosciences, Inc. (US) | 2015-03-04 | — | — | EP | disclosed |
| EP-2240443-B1 | PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS FOR THE TREATMENT OF PAIN | PURDUE PHARMA LP (US) | 2013-11-20 | — | — | EP | disclosed |
| EP-2583963-A1 | Proline analogs as ligands for cannabinoid receptors for the treatment of pain | Purdue Pharma L.P. (US) | 2013-04-24 | — | — | EP | disclosed |
| US-8084612-B2 | Proline analogs as ligands for cannabinoid receptors | PURDUE PHARMA L.P. (US) | 2011-12-27 | — | — | US | disclosed |
| EP-2240443-A1 | PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS FOR THE TREATMENT OF PAIN | Purdue Pharma LP (US) | 2010-10-20 | — | — | EP | disclosed |
| US-20090291947-A1 | PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS | PURDUE PHARMA L.P. (US) | 2009-11-26 | — | — | US | disclosed |
| WO-2009087564-A1 | PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS FOR THE TREATMENT OF PAIN | PURDUE PHARMA L.P. (DE) | 2009-07-16 | — | — | WO | disclosed |
| WO-2005100587-A2 | METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES | CSIR (ZA) | 2005-10-27 | — | — | WO | disclosed |
| EP-1268499-A1 | METHOD FOR POLYMERIZING POLAR SUBSTITUTED CYCLOALKENES | Bayer Aktiengesellschaft (DE) | 2003-01-02 | — | — | EP | disclosed |
| US-6495688-B2 | USED AS CORTICOTROPIN-RELEASING FACTOR (CRF) ANTAGONISTS, IN THERAPY AND DIAGNOSIS OF STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY | NEUROGEN CORPORATION | 2002-12-17 | — | — | US | disclosed |
| US-20020065290-A1 | Novel deazapurine derivatives: a new class of CRF1 specific ligands | NEUROGEN CORPORATION | 2002-05-30 | — | — | US | disclosed |
| WO-2001072760-A1 | METHOD FOR POLYMERIZING POLAR SUBSTITUTED CYCLOALKENES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-10-04 | — | — | WO | disclosed |
| EP-0915935-B1 | 4,7-DICHLORORHODAMINE DYES | PERKIN ELMER CORP (US) | 2001-03-07 | — | — | EP | disclosed |
| US-6020481-A | FLUORESCENT LABELING REAGENTS; DIDEOXY POLYNUCLEOTIDE SEQUENCING AND FRAGMENT ANALYSIS METHODS. | THE PERKIN-ELMER CORPORATION (US) | 2000-02-01 | — | — | US | disclosed |
| US-5821356-A | FOR PRIMER EXTENSION | THE PERKIN ELMER CORPORATION (US) | 1998-10-13 | — | — | US | disclosed |
| EP-0241735-A2 | Acyloxythiophene carbon amide | BAYER AG (DE) | 1987-10-21 | — | — | EP | disclosed |
| EP-0207355-A1 | Alkoxycarbonyl-substituted hydroxythiophene carboxamides | BAYER AG (DE) | 1987-01-07 | — | — | EP | disclosed |