⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27775118 | 1.00 | — | — | |
| SCHEMBL27795996 | 1.00 | — | — | |
| SCHEMBL1515328 | 0.92 | — | — | |
| SCHEMBL29261958 | 0.85 | — | — | |
| SCHEMBL3604014 | 0.79 | — | — | |
| SCHEMBL16556581 | 0.79 | — | — | |
| SCHEMBL3602468 | 0.79 | — | — | |
| SCHEMBL3602463 | 0.79 | — | — | |
| SCHEMBL12456107 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL3594515 | 0.77 | — | — |
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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2968338-A2 | NOVEL USES | Intra-Cellular Therapies, Inc. (US) | 2016-01-20 | — | — | EP | claimed |
| EP-2956141-A1 | NOVEL USES | Intra-Cellular Therapies, Inc. (US) | 2015-12-23 | — | — | EP | claimed |
| WO-2014145617-A2 | NOVEL USES | INTRA-CELLULAR THERAPIES, INC. (US) | 2014-09-18 | — | — | WO | claimed |
| WO-2014127331-A1 | NOVEL USES | INTRA-CELLULAR THERAPIES, INC. (US) | 2014-08-21 | — | — | WO | claimed |
| US-20130296228-A1 | EFFLUX PUMP INHIBITORS | PATEL MAHESH VITHALBHAI (IN) | 2013-11-07 | — | — | US | claimed |
| EP-2590657-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2013-05-15 | — | — | EP | claimed |
| EP-2575817-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2013-04-10 | — | — | EP | claimed |
| US-20130059774-A1 | EFFLUX PUMP INHIBITORS | PATEL MAHESH VITHALBHAI (IN) | 2013-03-07 | — | — | US | claimed |
| EP-2536408-A1 | EFFLUX PUMP INHIBITORS | Wockhardt Research Centre (IN) | 2012-12-26 | — | — | EP | claimed |
| WO-2011153136-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2011-12-08 | — | — | WO | claimed |
| EP-1636214-A1 | BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF | Astrazeneca AB (SE) | 2006-03-22 | — | — | EP | claimed |
| EP-1636194-A1 | BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF | AstraZeneca AB (SE) | 2006-03-22 | — | — | EP | claimed |
| WO-2005021533-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE | AMGEN INC (US) | 2005-03-10 | — | — | WO | claimed |
| WO-2005021532-A1 | SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE | AMGEN INC (US) | 2005-03-10 | — | — | WO | claimed |
| WO-2004108712-A1 | BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF | ASTRAZENECA AB (SE) | 2004-12-16 | — | — | WO | claimed |
| WO-2004108688-A1 | BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF | ASTRAZENECA AB (SE) | 2004-12-16 | — | — | WO | claimed |
| WO-2004108689-A1 | BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF | ASTRAZENECA AB (SE) | 2004-12-16 | — | — | WO | claimed |
| WO-2004085425-A1 | FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS | AMGEN INC (US) | 2004-10-07 | — | — | WO | claimed |
| EP-1218353-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca UK Limited (GB) | 2002-07-03 | — | — | EP | claimed |
| WO-2001004102-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA UK LIMITED (GB) | 2001-01-18 | — | — | WO | claimed |