⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL90709 | 0.78 | — | — | |
| SCHEMBL4073598 | 0.76 | — | — | |
| SCHEMBL4074073 | 0.76 | — | — | |
| SCHEMBL4732630 | 0.74 | — | — | |
| SCHEMBL7471040 | 0.73 | — | — | |
| Water SCHEMBL3838747 | 0.72 | — | — | |
| Magnesium SCHEMBL29776835 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL5343227 | 0.72 | — | — | |
| SCHEMBL38657452 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL5829502 | 0.70 | ALDH1A1 (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012027247-A2 | PHARMACEUTICAL COMPOSITION OF (R)-1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXY PROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL) CYCLOPROPANECARBOXAMIDE AND ADMINISTRATION THEROF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-01 | — | — | WO | disclosed |
| US-20120046330-A1 | PHARMACEUTICAL COMPOSITIONS OF (R)-1-(2,2-DIFLUOROBENZO[D] [1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL) CYCLOPROPANECARBOXAMIDE AND ADMINISTRATION THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-23 | — | — | US | disclosed |
| WO-2011133751-A9 | PROCESS OF PRODUCING CYCLOALKYLCARBOXAMIDO-INDOLE COMPOUNDS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | WO | disclosed |
| US-20120015999-A1 | FORMULATIONS OF (R)-1-(2,2-DIFLUOROBENZO[D] [1,3] DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-19 | — | — | US | disclosed |
| WO-2011133751-A2 | PROCESS OF PRODUCING CYCLOALKYLCARBOXAMIDO-INDOLE COMPOUNDS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-10-27 | — | — | WO | disclosed |
| WO-2011133956-A1 | PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-10-27 | — | — | WO | disclosed |
| US-20110257223-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-10-20 | — | — | US | disclosed |
| US-20110251253-A1 | SOLID FORMS OF (R)-1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL) CYCLOPROPANECARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-10-13 | — | — | US | disclosed |
| WO-2011119984-A1 | SOLID FORMS OF (R)-1(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDEROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL) CYCLOPROPANECARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-29 | — | — | WO | disclosed |
| WO-2011050325-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-28 | — | — | WO | disclosed |
| EP-0298487-B1 | Method for the production of tertiary-alkyldimethylhalosilane | TORAY SILICONE CO (JP) | 1994-06-15 | — | — | EP | disclosed |
| US-4814474-A | REARRANGEMENTS, LEWIS ACIDS CATALYSTS | TORAY SILICONE CO., LTD. (JP) | 1989-03-21 | — | — | US | disclosed |
| EP-0298487-A2 | Method for the production of tertiary-alkyldimethylhalosilane | TORAY SILICONE COMPANY, LIMITED (JP) | 1989-01-11 | — | — | EP | disclosed |