⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8284969 | 1.00 | — | — | |
| SCHEMBL14261649 | 1.00 | — | — | |
| SCHEMBL805302 | 1.00 | — | — | |
| SCHEMBL12508454 | 1.00 | — | — | |
| SCHEMBL12508147 | 1.00 | — | — | |
| SCHEMBL12651989 | 1.00 | — | — | |
| SCHEMBL23960485 | 0.86 | KDM1A (0.36) | — | |
| SCHEMBL8284979 | 0.86 | KDM1A (0.36) | — | |
| SCHEMBL25648881 | 0.86 | KDM1A (0.36) | — | |
| SCHEMBL16199056 | 0.86 | KDM1A (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021217047-A1 | EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-10-28 | — | — | WO | 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-8796460-B2 | Compounds for inhibiting KSP kinesin activity | Mercky Sharp & Dohme Corp. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20120070370-A1 | SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-03-22 | — | — | US | disclosed |
| US-20110171172-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME CORP. | 2011-07-14 | — | — | US | disclosed |
| US-20110150757-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME CORP. | 2011-06-23 | — | — | 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-2009061597-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | SCHERING CORPORATION (US) | 2009-05-14 | — | — | WO | disclosed |
| WO-2009052288-A1 | SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY | SCHERING CORPORATION (US) | 2009-04-23 | — | — | WO | disclosed |
| US-20080076783-A1 | Cycloalkyl Keto Piperidine Tachykinin Receptor Antagonists | MERCK & CO., INC. (US) | 2008-03-27 | — | — | US | disclosed |