⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13997489 | 0.80 | — | — | |
| SCHEMBL27860110 | 0.80 | — | — | |
| SCHEMBL275526 | 0.78 | MAOA (0.77) | — | |
| SCHEMBL2470956 | 0.78 | MAOA (0.77) | — | |
| SCHEMBL718626 | 0.78 | ADRA2A (0.56) | — | |
| SCHEMBL29785641 | 0.78 | MAOA (0.77) | — | |
| SCHEMBL2557888 | 0.76 | MAOA (0.74) | — | |
| SCHEMBL3194915 | 0.76 | — | — | |
| Benzene SCHEMBL10803509 | 0.76 | MAOA (0.82) | — | |
| SCHEMBL337735 | 0.76 | — | — |
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 199 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188063-B2 | A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2012-05-29 | — | — | US | claimed |
| US-8178509-B2 | Method to treat sickle cell disease | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2012-05-15 | — | — | US | claimed |
| US-8067419-B2 | N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-29 | — | — | US | claimed |
| WO-2009122148-A1 | FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2009-10-08 | — | — | WO | claimed |
| WO-2009071888-A1 | PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2009-06-11 | — | — | WO | claimed |
| WO-2009071890-A1 | TRICYCLIC KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2009-06-11 | — | — | WO | claimed |
| WO-2009071895-A1 | FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2009-06-11 | — | — | WO | claimed |
| US-20090149508-A1 | Process for the preparation of substituted phenyl ether compounds | SANDOZ AG (CH) | 2009-06-11 | — | — | US | claimed |
| EP-2035436-A1 | FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS | UCB Pharma S.A. (BE) | 2009-03-18 | — | — | EP | claimed |
| US-20080234272-A1 | Novel Piperazines as Antimalarial Agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2008-09-25 | — | — | US | claimed |
| WO-2006034235-A2 | SUBSTITUTED QUINOLINE AND QUINAZOLINE INHIBITORS OF QUINONE REDUCTASE 2 | SERENEX, INC. (US) | 2006-03-30 | — | — | WO | claimed |
| US-20050256311-A1 | Pyrimidine compounds | ASTRAZENECA AB (SE) | 2005-11-17 | — | — | US | claimed |
| US-6492411-B1 | TREATING ARTHRITIS; REDUCED SIDE EFFECTS | G. D. SEARLE & CO. | 2002-12-10 | — | — | US | claimed |
| US-6413960-B1 | NON-STEROIDAL ANTI-INFLAMMATORY AGENTS; ACTIVE IN REDUCING PROSTAGLANDIN-INDUCED PAIN AND SWELLING; ANALGESICS; ANTIPYRETICS; ARTHRITIS; SIDE EFFECT REDUCTION | G.D. SEARLE & CO. | 2002-07-02 | — | — | US | claimed |
| US-5753688-A | ANTIINFLAMMATORY | TALLEY JOHN J (US) | 1998-05-19 | — | — | US | claimed |
| US-5563165-A | PROSTAGLANDIN INHIBITOR; FDA ORANGE BOOK LISTED PATENT FOR CELEBREX | G. D. SEARL & CO. (US) | 1996-10-08 | — | — | US | claimed |
| US-5516907-A | ANTIINFLAMMATORY AGENTS | G.D. SEARLE & CO. (US) | 1996-05-14 | — | — | US | claimed |
| US-5508426-A | ANTIARTHRITIC AGENT | G. D. SEARLE & CO. (US) | 1996-04-16 | — | — | US | claimed |
| US-5466823-A | Antiinflammatory agents; FDA Orange book listed patent for Celebrex | G.D. SEARLE & CO. (US) | 1995-11-14 | — | — | US | claimed |
| US-5066643-A | Enzyme inhibitors, protease and esterase, hypotensive agents, congestive heart failure | SANDOZ LTD. (CH) | 1991-11-19 | — | — | US | claimed |