⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1654071 | 0.84 | — | — | |
| SCHEMBL28035971 | 0.75 | — | — | |
| SCHEMBL533194 | 0.72 | — | — | |
| SCHEMBL4908117 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL17103270 | 0.70 | — | — | |
| SCHEMBL26620837 | 0.68 | ACHE (0.42) | — | |
| SCHEMBL11248227 | 0.68 | IDO1 (0.33) | — | |
| SCHEMBL7670360 | 0.67 | ESR1 (0.38) | — | |
| SCHEMBL6536459 | 0.66 | LCK (0.38) | — | |
| SCHEMBL9703373 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140364461-A1 | METHOD OF TREATING DERMATOLOGICAL DISORDERS | UNIV CASE WESTERN RESERVE (US) | 2014-12-11 | — | — | US | disclosed |
| US-20140235676-A1 | RXR AGONIST COMPOUNDS AND METHODS | UNIV CASE WESTERN RESERVE (US) | 2014-08-21 | — | — | US | disclosed |
| EP-2766018-A2 | RXR AGONISTS COMPOUNDS AND METHODS | Case Western Reserve University (US) | 2014-08-20 | — | — | EP | disclosed |
| US-8796282-B2 | Method of treating dermatological disorders | CASE WESTERN RESERVE UNIVERSITY (US) | 2014-08-05 | — | — | US | disclosed |
| EP-2603494-A1 | PROCESS FOR THE PREPARATION OF 3-HALOALKYLPYRAZOLES | Syngenta Participations AG (CH) | 2013-06-19 | — | — | EP | disclosed |
| WO-2013056232-A2 | RXR AGONISTS COMPOUNDS AND METHODS | CASE WESTERN RESERVE UNIVERSITY (US) | 2013-04-18 | — | — | WO | disclosed |
| EP-2451455-A2 | RXR AGONIST COMPOUNDS AND METHODS | Case Western Reserve University (US) | 2012-05-16 | — | — | EP | disclosed |
| US-20120115912-A1 | RXR AGONIST COMPOUNDS AND METHODS | LANDRETH GARY E (US) | 2012-05-10 | — | — | US | disclosed |
| WO-2012019950-A1 | PROCESS FOR THE PREPARATION OF 3-HALOALKYLPYRAZOLES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-02-16 | — | — | WO | disclosed |
| WO-2011006157-A2 | RXR AGONIST COMPOUNDS AND METHODS | CASE WESTERN RESERVE UNIVERSITY (US) | 2011-01-13 | — | — | WO | disclosed |
| US-20090042909-A1 | METHOD OF TREATING DERMATOLOGICAL DISORDERS | CASE WESTERN RESERVE UNIVERSITY | 2009-02-12 | — | — | US | disclosed |
| EP-1419156-A1 | ALKYL-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | ALTANA Pharma AG (DE) | 2004-05-19 | — | — | EP | disclosed |
| WO-2003016310-A1 | ALKYL-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | ALTANA PHARMA AG (DE) | 2003-02-27 | — | — | WO | disclosed |