⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11943484 | 0.75 | — | — | |
| SCHEMBL514835 | 0.73 | — | — | |
| SCHEMBL31186 | 0.71 | — | — | |
| SCHEMBL514834 | 0.70 | — | — | |
| Fluoride SCHEMBL776938 | 0.70 | — | — | |
| SCHEMBL12408083 | 0.67 | — | — | |
| SCHEMBL2291498 | 0.67 | — | — | |
| SCHEMBL1233489 | 0.67 | — | — | |
| SCHEMBL6958749 | 0.64 | CA2 (0.41) | — | |
| SCHEMBL13188145 | 0.64 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170247321-A1 | TETRALIN AND INDANE DERIVATIVES AND USES THEREOF | ROCHE PALO ALTO LLC (US) | 2017-08-31 | — | — | US | disclosed |
| US-20170197986-A1 | DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR | MEDSHINE DISCOVERY INC. (CN) | 2017-07-13 | — | — | US | disclosed |
| US-20170166576-A1 | IRE-1alpha INHIBITORS | FOSUN ORINOVE PHARMATECH, INC. (CN) | 2017-06-15 | — | — | US | disclosed |
| US-9670151-B2 | Tetralin and indane derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2017-06-06 | — | — | US | disclosed |
| US-9546149-B2 | IRE-1α inhibitors | MANNKIND CORPORATION (US) | 2017-01-17 | — | — | US | disclosed |
| US-20160347773-A1 | MICROBIOCIDALLY ACTIVE BENZOXABOROLES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-12-01 | — | — | US | disclosed |
| US-9493435-B2 | IRE-1α inhibitors | MANNKING CORPORATION (US) | 2016-11-15 | — | — | US | disclosed |
| US-20160168116-A1 | IRE-1alpha Inhibitors | FOSUN ORINOVE PHARMATECH, INC. (CN) | 2016-06-16 | — | — | US | disclosed |
| EP-2305808-B1 | Templated molecules and methods for using such molecules | NUEVOLUTION AS (DK) | 2016-03-02 | — | — | EP | disclosed |
| US-9241942-B2 | IRE-1α inhibitors | MANNKIND CORPORATION (US) | 2016-01-26 | — | — | US | disclosed |
| US-20110065162-A1 | IRE-1alpha INHIBITORS | MANNKIND CORPORATION (US) | 2011-03-17 | — | — | US | disclosed |
| US-7799797-B2 | Arylsulfonyl naphthalene derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2010-09-21 | — | — | US | disclosed |
| US-7531577-B2 | Arylsulfonamidyl tetralin derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2009-05-12 | — | — | US | disclosed |
| US-7498441-B2 | Biaryltetrahydroisoquinoline piperidines as selective MCH receptor antagonists for the treatment of obesity and related disorders | SCHERING CORPORATION (US) | 2009-03-03 | — | — | US | disclosed |
| US-20080293751-A1 | Tetralin and indane derivatives and uses thereof | ROCHE PALO ALTO LLC | 2008-11-27 | — | — | US | disclosed |
| US-20080095740-A1 | PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION | 2008-04-24 | — | — | US | disclosed |
| US-20080015208-A1 | Arylsulfonamidyl tetralin derivatives and uses thereof | ROCHE PALO ALTO LLC | 2008-01-17 | — | — | US | disclosed |
| US-7312359-B2 | 2-(5-Benzenesulfonyl-indan-1-yl)-ethylamine, used as selective serotonin receptor antagonists for treatment of nervous system and gastrointestinal disorders | ROCHE PALO ALTO LLC (US) | 2007-12-25 | — | — | US | disclosed |
| US-20070293526-A1 | Arylsulfonyl naphthalene derivatives and uses thereof | ROCHE PALO ALTO LLC | 2007-12-20 | — | — | US | disclosed |
| US-7307081-B2 | Piperidine derivatives useful as CCR5 antagonists | SCHERING CORPORATION (US) | 2007-12-11 | — | — | US | disclosed |