⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2223 | 0.98 | — | — | |
| SCHEMBL5708068 | 0.98 | NPC1 (0.35) | — | |
| SCHEMBL2400239 | 0.95 | MAPT (0.34) | — | |
| SCHEMBL28303078 | 0.91 | MAPT (0.33) | — | |
| SCHEMBL28181377 | 0.80 | NPC1 (0.30) | — | |
| SCHEMBL27810697 | 0.80 | GABRP (0.30) | — | |
| SCHEMBL3746355 | 0.71 | NQO2 (0.43) | — | |
| SCHEMBL6790680 | 0.71 | NPC1 (0.53) | — | |
| SCHEMBL533256 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL207905 | 0.67 | PIK3CG (0.44) | — |
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 430 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102883723-B | Therapeutic compounds and related methods of use | OTSUKA PHARMACEUTICAL CO.,LTD. (JP) | 2015-09-16 | — | — | CN | claimed |
| CN-103052627-B | As the pyrimidine derivatives of Fak inhibitor | MERCK PATENT GMBH (DE) | 2015-08-19 | — | — | CN | claimed |
| CN-103748095-A | Bicyclic heteroaromatic compounds | MERCK PATENT GMBH | 2014-04-23 | — | — | CN | claimed |
| CN-103703001-A | Quinazolines as therapeutic compounds and related methods of use | OTSUKA PHARMA CO LTD | 2014-04-02 | — | — | CN | claimed |
| CN-103052627-A | Pyrimidine derivatives as fak inhibitors | MERCK PATENT GMBH | 2013-04-17 | — | — | CN | claimed |
| CN-102917590-A | Trycyclic compounds and pbk inhibitors containing the same | ONCOTHERAPY SCIENCE INC | 2013-02-06 | — | — | CN | claimed |
| CN-102883723-A | Therapeutic compounds and related methods of use | GALENEA CORP | 2013-01-16 | — | — | CN | claimed |
| CN-102850336-A | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMA CO LTD | 2013-01-02 | — | — | CN | claimed |
| CN-101948425-A | As the compound of glucocorticoid ligands, the pharmaceutical composition that comprises them, test kit and preparation method thereof | BOEHRINGER INGELHEIM PHARMA | 2011-01-19 | — | — | CN | claimed |
| CN-101903349-A | 4- (4-pyridinyl) -benzamides and their use as ROCK activity modulators | ABBOTT GMBH & CO KG | 2010-12-01 | — | — | CN | claimed |
| CN-101421292-A | HCV inhibitors | NOVARTIS AG (CH) | 2009-04-29 | — | — | CN | claimed |
| CN-101258147-A | 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2008-09-03 | — | — | CN | claimed |
| CN-1976705-A | 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2, 3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes | BOEHRINGER INGELHEIM PHARMA (US) | 2007-06-06 | — | — | CN | claimed |
| CN-1791576-A | Benzamide modulators of metabotropic glutamate receptors | MERCK & CO INC (US) | 2006-06-21 | — | — | CN | claimed |
| CN-1788008-A | 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as S1P receptor agonists | MERCK & CO INC (US) | 2006-06-14 | — | — | CN | claimed |
| CN-1671711-A | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2005-09-21 | — | — | CN | claimed |
| CN-1657523-A | Cyclic compounds | TANABE SEIYAKU CO (JP) | 2005-08-24 | — | — | CN | claimed |
| CN-1633296-A | Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof | BOEHRINGER INGELHEIM PHARMA (US) | 2005-06-29 | — | — | CN | claimed |
| CN-1538970-A | Thieno [2, 3-d ] pyrimidinediones and their use in the modulation of autoimmune diseases | — | 2004-10-20 | — | — | CN | claimed |
| CN-1440393-A | cyclic compound | TANABE SEIYAKU CO (JP) | 2003-09-03 | — | — | CN | claimed |