⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23182186 | 0.81 | — | — | |
| SCHEMBL805267 | 0.81 | — | — | |
| SCHEMBL24690885 | 0.81 | — | — | |
| Tert-Butyl Formate SCHEMBL28333563 | 0.81 | TDP1 (0.45) | — | |
| SCHEMBL6889777 | 0.78 | SLC6A1 (0.52) | — | |
| SCHEMBL28165930 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28108599 | 0.77 | SLC6A1 (0.50) | — | |
| SCHEMBL2569289 | 0.76 | — | — | |
| SCHEMBL24589640 | 0.75 | CHRNB2 (0.35) | — | |
| SCHEMBL22864385 | 0.75 | CHRNB2 (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022251561-A2 | SPIROINDOLINONE COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2022-12-01 | — | — | WO | disclosed |
| US-8796460-B2 | Compounds for inhibiting KSP kinesin activity | Mercky Sharp & Dohme Corp. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20130231321-A1 | 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME | H. LUNDBECK A/S (DK) | 2013-09-05 | — | — | US | disclosed |
| US-8440837-B2 | 2-substituted-ethynylthiazole derivatives and uses of same | H. LUNDBECK A/S (DK) | 2013-05-14 | — | — | 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 |
| US-20110092475-A1 | 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME | H. LUNDBECK A/S (DK) | 2011-04-21 | — | — | US | disclosed |
| WO-2009061597-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | SCHERING CORPORATION (US) | 2009-05-14 | — | — | WO | 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 |