⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1119401 | 0.81 | — | — | |
| SCHEMBL10518818 | 0.79 | PARP1 (0.34) | — | |
| SCHEMBL8228517 | 0.77 | TDP1 (0.30) | — | |
| Water SCHEMBL10621554 | 0.72 | GAA (0.31) | — | |
| SCHEMBL6232352 | 0.71 | RAB9A (0.31) | — | |
| Hydrochloric Acid SCHEMBL10660266 | 0.70 | GAA (0.30) | — | |
| SCHEMBL5220353 | 0.70 | — | — | |
| SCHEMBL13927963 | 0.67 | NLRP3 (0.33) | — | |
| SCHEMBL1119414 | 0.66 | MEN1 (0.32) | — | |
| SCHEMBL7099061 | 0.66 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7777039-B2 | Process for the preparation of aripiprazole | ALEMBIC LIMITED (IN) | 2010-08-17 | — | — | US | claimed |
| US-7361756-B2 | Method of making 7-(4-bromobutoxy)-3,4-dihydrocarbostyril | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2008-04-22 | — | — | US | claimed |
| WO-2007113846-A1 | A PROCESS FOR THE PREPARATION OF ARIPIPRAZOLE | ALEMBIC LIMITED (IN) | 2007-10-11 | — | — | WO | claimed |
| EP-1765782-A1 | METHOD OF MAKING 7-(4-BROMOBUTOXY)-3,4-DIHYDROCARBOSTYRIL | Teva Pharmaceutical Industries Ltd (IL) | 2007-03-28 | — | — | EP | claimed |
| US-20060258869-A1 | Process for the preparation of aripiprazole | ALEMBIC LIMITED (IN) | 2006-11-16 | — | — | US | claimed |
| WO-2006001846-A1 | METHOD OF MAKING 7-(4-BROMOBUTOXY)-3,4-DIHYDROCARBOSTYRIL | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2006-01-05 | — | — | WO | claimed |
| US-20050215585-A1 | Method of making 7-(4-bromobutoxy)-3,4-dihydrocarbostyril | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2005-09-29 | — | — | US | claimed |
| US-8541404-B2 | Inhibitors of the human aldosterone synthase CYP11B2 | ELEXOPHARM GMBH (DE) | 2013-09-24 | — | — | US | disclosed |
| EP-2280954-B1 | 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 | UNIV SAARLAND (DE) | 2013-03-27 | — | — | EP | disclosed |
| US-20110118241-A1 | 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 | UNIVERSITAT DES SAARLANDES (DE) | 2011-05-19 | — | — | US | disclosed |
| US-20110112067-A1 | Inhibitors of the Human Aldosterone Sythase CYP11B2 | UNIVERSITAT DES SAARLANDES (DE) | 2011-05-12 | — | — | US | disclosed |
| US-7777039-B2 | Process for the preparation of aripiprazole | ALEMBIC LIMITED (IN) | 2010-08-17 | — | — | US | disclosed |
| US-7777039-B2 | Process for the preparation of aripiprazole | ALEMBIC LIMITED (IN) | 2010-08-17 | — | — | US | disclosed |
| US-20060258869-A1 | Process for the preparation of aripiprazole | ALEMBIC LIMITED (IN) | 2006-11-16 | — | — | US | disclosed |
| WO-2006001846-A1 | METHOD OF MAKING 7-(4-BROMOBUTOXY)-3,4-DIHYDROCARBOSTYRIL | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2006-01-05 | — | — | WO | disclosed |
| WO-2006001846-A1 | METHOD OF MAKING 7-(4-BROMOBUTOXY)-3,4-DIHYDROCARBOSTYRIL | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2006-01-05 | — | — | WO | disclosed |
| US-20050215585-A1 | Method of making 7-(4-bromobutoxy)-3,4-dihydrocarbostyril | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2005-09-29 | — | — | US | disclosed |
| US-20050215585-A1 | Method of making 7-(4-bromobutoxy)-3,4-dihydrocarbostyril | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2005-09-29 | — | — | US | disclosed |
| US-6514991-B2 | Treating metabolic disorders mediated by insulin resistance or hyperglycemia; treating or inhibiting type 11 diabetes or urinary incontinence; increasing the lean meat to fat ratio in a mammal | WYETH | 2003-02-04 | — | — | US | disclosed |
| US-20020068751-A1 | Phenyl-oxo-tetrahydroquinolin-3-yl beta-3 adrenergic receptor agonists | AMERICAN HOME PRODUCTS CORPORATION | 2002-06-06 | — | — | US | disclosed |