⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL107741 | 1.00 | — | — | |
| SCHEMBL7712935 | 1.00 | — | — | |
| SCHEMBL27849695 | 0.97 | — | — | |
| Ethane SCHEMBL9794523 | 0.97 | — | — | |
| SCHEMBL28287932 | 0.97 | — | — | |
| SCHEMBL7928098 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL27283984 | 0.78 | — | — | |
| SCHEMBL16280856 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL21407621 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL17378384 | 0.76 | TET2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9266919-B2 | Antibacterial aminoglycoside analogs | ACHAOGEN, INC. (US) | 2016-02-23 | — | — | US | disclosed |
| EP-2220061-B1 | SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME (US) | 2016-02-17 | — | — | EP | disclosed |
| US-20150045317-A1 | ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS | Cipla USA, Inc. | 2015-02-12 | — | — | US | disclosed |
| US-8822424-B2 | Antibacterial aminoglycoside analogs | ACHAOGEN, INC. (US) | 2014-09-02 | — | — | US | disclosed |
| US-8796460-B2 | Compounds for inhibiting KSP kinesin activity | Mercky Sharp & Dohme Corp. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8653041-B2 | Antibacterial aminoglycoside analogs | ACHAOGEN, INC. (US) | 2014-02-18 | — | — | US | disclosed |
| US-20130217642-A1 | ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS | ACHAOGEN, INC. (US) | 2013-08-22 | — | — | US | disclosed |
| US-20130178438-A1 | ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS | ACHAOGEN, INC. (US) | 2013-07-11 | — | — | US | disclosed |
| US-8268996-B2 | Compounds and compositions as cathepsin S inhibitors | IRM LLC (BM) | 2012-09-18 | — | — | US | disclosed |
| EP-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |
| US-8163763-B2 | Pyrimidine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20120070370-A1 | SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-03-22 | — | — | US | disclosed |
| US-20110245243-A1 | COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS | NOVARTIS AG | 2011-10-06 | — | — | US | disclosed |
| US-20110171172-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME CORP. | 2011-07-14 | — | — | US | disclosed |
| US-20110123435-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME LLC | 2011-05-26 | — | — | US | disclosed |
| WO-2010132520-A1 | SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS | SCHERING CORPORATION (US) | 2010-11-18 | — | — | WO | disclosed |
| WO-2009061595-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | SCHERING CORPORATION (US) | 2009-05-14 | — | — | WO | disclosed |
| WO-2006007700-A1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | WO | disclosed |