⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21929747 | 0.69 | — | — | |
| SCHEMBL4510148 | 0.67 | — | — | |
| SCHEMBL15990769 | 0.67 | — | — | |
| SCHEMBL6591708 | 0.65 | — | — | |
| Trifluoroacetic Acid SCHEMBL5701461 | 0.65 | ACLY (0.40) | — | |
| SCHEMBL5371307 | 0.64 | — | — | |
| SCHEMBL27245 | 0.63 | — | — | |
| SCHEMBL3307699 | 0.61 | — | — | |
| Trifluoroacetic Acid SCHEMBL28235039 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL891574 | 0.59 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102351918-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing said compounds, their use and process for their preparation | BOEHRINGER INGELHEIM INT | 2012-02-15 | — | — | CN | claimed |
| CN-101437807-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing said compounds, their use and process for their preparation | BOEHRINGER INGELHEIM INT (DE) | 2009-05-20 | — | — | CN | claimed |
| CN-101384576-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture | BOEHRINGER INGELHEIM INT (DE) | 2009-03-11 | — | — | CN | claimed |
| WO-2002021216-A9 | POLYMERS AND PHOTORESIST COMPOSITIONS COMPRISING ELECTRONEGATIVE GROUPS | SHIPLEY CO LLC (US) | 2003-04-03 | — | — | WO | claimed |
| US-20020058199-A1 | Novel polymers and photoresist compositions comprising electronegative groups | SHIPLEY COMPANY, L.L.C. | 2002-05-16 | — | — | US | claimed |
| CN-110475772-A | Pyridine compounds | BASF SE | 2019-11-19 | — | — | CN | disclosed |
| CN-109476561-A | Capsule comprising being used as the benzyl propargyl ether of nitrification inhibitor | 巴斯夫欧洲公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-102666491-A | Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS INC | 2012-09-12 | — | — | CN | disclosed |
| CN-101137606-B | Process for oxidation of organic compounds | DAICEL CHEM | 2012-07-25 | — | — | CN | disclosed |
| CN-102351918-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing said compounds, their use and process for their preparation | BOEHRINGER INGELHEIM INT | 2012-02-15 | — | — | CN | disclosed |
| CN-101437807-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing said compounds, their use and process for their preparation | BOEHRINGER INGELHEIM INT (DE) | 2009-05-20 | — | — | CN | disclosed |
| CN-101384576-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture | BOEHRINGER INGELHEIM INT (DE) | 2009-03-11 | — | — | CN | disclosed |
| CN-1157380-C | Substituted polycyclic aryl and heteroaryl pyrymidinones useful as anticoagulants agents | �ź㴫 | 2004-07-14 | — | — | CN | disclosed |
| CN-1153764-C | Substituted benzylaminopiperidine compounds | ������ҩ������˾ | 2004-06-16 | — | — | CN | disclosed |
| CN-1152023-C | Substituted polycyclic aryl and heteroaryl uracils as anticoagulative agents | 法玛西雅公司 | 2004-06-02 | — | — | CN | disclosed |
| CN-1378534-A | Substituted polycyclic aryl and heteroaryl pyridones for selective inhibition of the coagulation cascade | PHARMACIA CO (US) | 2002-11-06 | — | — | CN | disclosed |
| CN-1351593-A | Substituted polycyclic aryl and heteroaryl pyrymidinones useful as anticoagulants agents | PHARMACIA CO (US) | 2002-05-29 | — | — | CN | disclosed |
| CN-1351594-A | Substituted polycyclic aryl and heteroaryl uracils as anticoagulative agents | PHARMACIA CORP (US) | 2002-05-29 | — | — | CN | disclosed |
| CN-1351595-A | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CO (US) | 2002-05-29 | — | — | CN | disclosed |
| CN-1193961-A | Substituted benzylaminopiperidine compounds | PFIZER (US) | 1998-09-23 | — | — | CN | disclosed |