⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9390051 | 0.80 | — | — | |
| SCHEMBL7748360 | 0.79 | — | — | |
| SCHEMBL3335594 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL21680745 | 0.77 | — | — | |
| SCHEMBL9517516 | 0.76 | CHRM1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL9847609 | 0.74 | CHRM1 (0.57) | — | |
| SCHEMBL3020647 | 0.73 | — | — | |
| SCHEMBL1245328 | 0.73 | — | — | |
| SCHEMBL999779 | 0.73 | — | — | |
| SCHEMBL9474699 | 0.72 | NQO1 (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1250332-A1 | INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION | Abbott Laboratories (US) | 2002-10-23 | — | — | EP | claimed |
| WO-2001044223-A1 | INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION | ABBOTT LABORATORIES (US) | 2001-06-21 | — | — | WO | claimed |
| US-8263762-B2 | Alkoxy-carbonyl-amino-alkynyl-adenosine compounds and derivatives thereof as A2AR agonists | DOGWOOD PHARMACEUTICALS, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| US-20110003766-A1 | ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THEREOF AS A2AR AGONISTS | ADENOSINE THERAPEUTICS, LLC | 2011-01-06 | — | — | US | disclosed |
| EP-2019102-A1 | Alkylacetylene substituted Acyltryptophanols | Bayer Schering Pharma AG (DE) | 2009-01-28 | — | — | EP | disclosed |
| EP-1723414-A4 | NPC1L1 (NPC3) AND METHODS OF IDENTIFYING LIGANDS THEREOF | MERCK & CO INC (US) | 2008-03-26 | — | — | EP | disclosed |
| EP-1723414-A2 | NPC1L1 (NPC3) AND METHODS OF IDENTIFYING LIGANDS THEREOF | Merck & Co., Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005069900-A2 | NPC1L1 (NPC3) AND METHODS OF IDENTIFYING LIGANDS THEREOF | MERCK & CO., INC. (US) | 2005-08-04 | — | — | WO | disclosed |
| EP-1528925-A1 | QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Astrazeneca AB (SE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004004732-A1 | QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2004-01-15 | — | — | WO | disclosed |
| EP-0411615-B1 | 4-(N-substituted amino)-2-butynyl-1-ureas and thioureas and derivatives thereof as centrally acting muscarinic agents | WARNER LAMBERT CO (US) | 1993-12-29 | — | — | EP | disclosed |
| EP-0411615-A1 | 4-(N-substituted amino)-2-butynyl-1-ureas and thioureas and derivatives thereof as centrally acting muscarinic agents | WARNER-LAMBERT COMPANY (US) | 1991-02-06 | — | — | EP | disclosed |
| US-4988688-A | Cognitive activators | WARNER-LAMBERT COMPANY (US) | 1991-01-29 | — | — | US | disclosed |