⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6807748 | 0.86 | CA2 (0.48) | — | |
| SCHEMBL7860013 | 0.86 | CA2 (0.48) | — | |
| SCHEMBL4902507 | 0.84 | CA2 (0.47) | — | |
| SCHEMBL8186793 | 0.82 | S1PR2 (0.52) | — | |
| SCHEMBL6802942 | 0.82 | S1PR2 (0.52) | — | |
| SCHEMBL28617729 | 0.82 | S1PR2 (0.52) | — | |
| SCHEMBL3432132 | 0.82 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL6797823 | 0.81 | S1PR2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL6802283 | 0.81 | S1PR2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL6807996 | 0.81 | S1PR2 (0.50) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2275412-A1 | Indole and benzimidazole derivatives | Novartis Vaccines and Diagnostics, Inc. (US) | 2011-01-19 | — | — | EP | disclosed |
| CN-101213179-A | 2, 4-diamino-pyrimidines as Aurora inhibitors | BOEHRINGER INGELHEIM INT (DE) | 2008-07-02 | — | — | CN | disclosed |
| EP-1360168-A4 | AMPHIPHILIC DERIVATIVES FOR THE PRODUCTION OF VESICLES, MICELLES AND COMPLEXANTS, AND PRECURSORS THEREOF | UNIV BEN GURION (IL) | 2007-10-31 | — | — | EP | disclosed |
| US-20050118248-A1 | Amphiphilic derivatives for the production of vesicles, micelles and complexants, and precursors thereof | BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DE (IL) | 2005-06-02 | — | — | US | disclosed |
| EP-1360168-A2 | AMPHIPHILIC DERIVATIVES FOR THE PRODUCTION OF VESICLES, MICELLES AND COMPLEXANTS, AND PRECURSORS THEREOF | Ben Gurion University Of The Negev Research And Development Authority (IL) | 2003-11-12 | — | — | EP | disclosed |
| EP-1339489-A1 | PROCESS FOR THE PREPARATION OF A MIXTURE OF $g(e)-CAPROLACTAM AND/OR $g(e)-CAPROLACTAM PRECURSORS | DSM N.V. (NL) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002028525-A9 | PROCESS FOR THE PREPARATION OF A MIXTURE OF ε-CAPROLACTAM AND/OR ε-CAPROLACTAM PRECURSORS | DSM NV (NL) | 2002-11-28 | — | — | WO | disclosed |
| WO-2002055011-A2 | AMPHIPHILIC DERIVATIVES FOR THE PRODUCTION OF VESICLES, MICELLES AND COMPLEXANTS, AND PRECURSORS THEREOF | UNIV BEN GURION (IL) | 2002-07-18 | — | — | WO | disclosed |
| WO-2002028525-A1 | PROCESS FOR THE PREPARATION OF A MIXTURE OF ε-CAPROLACTAM AND/OR ε-CAPROLACTAM PRECURSORS | DSM N.V. (NL) | 2002-04-11 | — | — | WO | disclosed |
| EP-0747381-B1 | CARBAPENEM DERIVATIVE | BANYU PHARMA CO LTD (JP) | 2001-10-31 | — | — | EP | disclosed |
| EP-0765879-B1 | 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests | SANKYO CO (JP) | 2001-02-14 | — | — | EP | disclosed |
| EP-0675133-B1 | 13-Substituted milbemycin derivatives, their preparation and use | SANKYO CO (JP) | 2000-01-12 | — | — | EP | disclosed |
| US-5861429-A | MITICIDES AND ANTHELMINTICS | SANKYO COMPANY, LIMITED (JP) | 1999-01-19 | — | — | US | disclosed |
| US-5707987-A | BACTERICIDE ANTIBIOTICS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-01-13 | — | — | US | disclosed |
| EP-0765879-A1 | 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests | SANKYO COMPANY LIMITED (JP) | 1997-04-02 | — | — | EP | disclosed |
| US-5614470-A | AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE | SANKYO COMPANY, LIMITED (JP) | 1997-03-25 | — | — | US | disclosed |
| EP-0747381-A1 | CARBAPENEM DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-12-11 | — | — | EP | disclosed |
| EP-0675133-A1 | 13-Substituted milbemycin derivatives, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1995-10-04 | — | — | EP | disclosed |