⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12462673 | 1.00 | — | — | |
| SCHEMBL13998212 | 0.91 | DPP4 (0.33) | — | |
| SCHEMBL10077578 | 0.90 | DPP4 (0.47) | — | |
| SCHEMBL26149438 | 0.90 | — | — | |
| SCHEMBL16388531 | 0.90 | DPP4 (0.47) | — | |
| SCHEMBL8226158 | 0.87 | DPP4 (0.50) | — | |
| SCHEMBL26025241 | 0.87 | DPP4 (0.50) | — | |
| SCHEMBL8026012 | 0.87 | DPP4 (0.50) | — | |
| SCHEMBL27984790 | 0.87 | LMNA (0.42) | — | |
| SCHEMBL18739352 | 0.85 | DPP4 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20090198050-A1 | Macrocyclic Modulators of the Ghrelin Receptor | TRANZYME PHARMA INC. | 2009-08-06 | — | — | US | disclosed |
| WO-2009061595-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 |
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |