⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL884352 | 1.00 | — | — | |
| SCHEMBL4663607 | 1.00 | — | — | |
| SCHEMBL1829457 | 1.00 | — | — | |
| SCHEMBL51336 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL9580947 | 0.88 | — | — | |
| SCHEMBL12502051 | 0.88 | — | — | |
| SCHEMBL30207737 | 0.78 | — | — | |
| SCHEMBL12027425 | 0.78 | — | — | |
| Formaldehyde SCHEMBL9794447 | 0.78 | — | — | |
| SCHEMBL183235 | 0.78 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994014415-A1 | FLUOROCARBON EMULSIONS | HEMAGEN/PFC (US) | 1994-07-07 | — | — | WO | claimed |
| EP-2661437-B1 | 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS | CENTAURUS BIOPHARMA CO LTD (CN) | 2018-11-07 | — | — | EP | disclosed |
| US-9428508-B2 | 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors | CENTAURUS BIOPHARMA CO., LTD. (CN) | 2016-08-30 | — | — | US | disclosed |
| EP-1713513-B1 | CELLULAR LABELING FOR NUCLEAR MAGNETIC RESONANCE TECHNIQUES | UNIV CARNEGIE MELLON (US) | 2014-06-04 | — | — | EP | disclosed |
| US-20130281438-A1 | 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS | CENTAURUS BIOPHARMA CO., LTD. (CN) | 2013-10-24 | — | — | US | disclosed |
| US-8449866-B2 | Cellular labeling for nuclear magnetic resonance techniques | CARNEGIE MELLON UNIVERSITY (US) | 2013-05-28 | — | — | US | disclosed |
| US-20130022990-A1 | CELLULAR LABELING FOR NUCLEAR MAGNETIC RESONANCE TECHNIQUES | CARNEGIE MELLON UNIVERSITY (US) | 2013-01-24 | — | — | US | disclosed |
| US-8263043-B2 | Cellular labeling and quantification for nuclear magnetic resonance techniques | CARNEGIE MELLON UNIVERSITY (US) | 2012-09-11 | — | — | US | disclosed |
| US-8147806-B2 | Cellular labeling for nuclear magnetic resonance techniques | CARNEGIE MELLON UNIVERSITY (US) | 2012-04-03 | — | — | US | disclosed |
| EP-2319544-A1 | Cellular labeling for nuclear magnetic resonance techniques | Carnegie Mellon University (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-2010646-A2 | CELLULAR LABELING AND QUANTIFICATION FOR NUCLEAR MAGNETIC RESONANCE TECHNIQUES | Carnegie Mellon University (US) | 2009-01-07 | — | — | EP | disclosed |
| US-20080292554-A1 | Cellular Labeling for Nuclear Magnetic Resonance Techniques | CARNEGIE MELLON UNIVERSITY (US) | 2008-11-27 | — | — | US | disclosed |
| US-20070253910-A1 | Cellular labeling and quantification for nuclear magnetic resonance techniques | CARNEGIE MELLON UNIVERSITY (US) | 2007-11-01 | — | — | US | disclosed |
| WO-2007120911-A2 | CELLULAR LABELING AND QUANTIFICATION FOR NUCLEAR MAGNETIC RESONANCE TECHNIQUES | CARNEGIE MELLON UNIVERSITY (US) | 2007-10-25 | — | — | WO | disclosed |
| EP-1713513-A2 | CELLULAR LABELING FOR NUCLEAR MAGNETIC RESONANCE TECHNIQUES | CARNEGIE MELLON UNIVERSITY (US) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005072780-A2 | CELLULAR LABELING FOR NUCLEAR MAGNETIC RESONANCE TECHNIQUES | CARNEGIE MELLON UNIVERSITY (US) | 2005-08-11 | — | — | WO | disclosed |
| WO-1994014415-A1 | FLUOROCARBON EMULSIONS | HEMAGEN/PFC (US) | 1994-07-07 | — | — | WO | disclosed |