⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26564954 | 0.85 | — | — | |
| SCHEMBL21532889 | 0.85 | — | — | |
| SCHEMBL12046862 | 0.84 | — | — | |
| SCHEMBL16837538 | 0.82 | — | — | |
| SCHEMBL1629839 | 0.82 | — | — | |
| SCHEMBL2628487 | 0.76 | EPHX1 (0.30) | — | |
| SCHEMBL11989436 | 0.74 | — | — | |
| SCHEMBL13680341 | 0.71 | — | — | |
| SCHEMBL24045297 | 0.70 | — | — | |
| SCHEMBL6127876 | 0.70 | — | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170334924-A1 | Spirocyclic Heterocyclic Compounds Useful As HIV Integrase Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-23 | — | — | US | disclosed |
| US-20170240512-A1 | HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-08-24 | — | — | US | disclosed |
| US-9725416-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-08-08 | — | — | US | disclosed |
| US-20170190734-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | Selcia Ltd. (GB) | 2017-07-06 | — | — | US | disclosed |
| US-9656974-B2 | Oxazine derivatives | SHIONOGI & CO., LTD. (JP) | 2017-05-23 | — | — | US | disclosed |
| US-9656974-B2 | Oxazine derivatives | SHIONOGI & CO., LTD. (JP) | 2017-05-23 | — | — | US | disclosed |
| US-9642889-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2017-05-09 | — | — | US | disclosed |
| US-20160362383-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2016-12-15 | — | — | US | disclosed |
| US-20160333003-A1 | READ-THROUGH COMPOUND PRODRUGS SUPPRESSING PREMATURE NONSENSE MUTATIONS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-11-17 | — | — | US | disclosed |
| US-20160220633-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2016-08-04 | — | — | US | disclosed |
| US-20110224188-A1 | DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-15 | — | — | US | disclosed |
| US-20110172217-A1 | RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2011-07-14 | — | — | US | disclosed |
| US-7951838-B2 | Substituted spirocyclic chromanamine compounds as Beta-Secretase modulators and methods of use | AMGEN INC. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20100317668-A1 | SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2010-12-16 | — | — | US | disclosed |
| US-7803809-B2 | Substituted pyrano [2,3-b] pyridinamine compounds as beta-secretase modulators and methods of use | AMGEN INC. (US) | 2010-09-28 | — | — | US | disclosed |
| US-20100120774-A1 | Substituted Pyrano [2,3-b] Pyridinamine compounds as beta-secretase modulators and methods of use | AMGEN INC. (US) | 2010-05-13 | — | — | US | disclosed |
| US-20090275602-A1 | Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use | AMGEN INC. (US) | 2009-11-05 | — | — | US | disclosed |
| US-20090036478-A1 | Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use | AMGEN INC. (US) | 2009-02-05 | — | — | US | disclosed |
| US-20070208001-A1 | Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same | INCYTE CORPORATION | 2007-09-06 | — | — | US | disclosed |
| US-20070021350-A1 | Conjugates useful in the treatment of prostate cancer | BRADY STEPHEN F | 2007-01-25 | — | — | US | disclosed |