⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL715867 | 0.92 | GSK3B (1.00) | — | |
| SCHEMBL10990 | 0.92 | — | — | |
| SCHEMBL33524954 | 0.92 | — | — | |
| SCHEMBL1599522 | 0.92 | — | — | |
| SCHEMBL7021498 | 0.92 | — | — | |
| SCHEMBL693917 | 0.92 | GSK3B (1.00) | — | |
| Charcoal, Activated SCHEMBL4128314 | 0.88 | GSK3A (0.92) | — | |
| Charcoal, Activated SCHEMBL8357494 | 0.88 | — | — | |
| SCHEMBL4657701 | 0.88 | — | — | |
| SCHEMBL8835188 | 0.88 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2820013-A1 | LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS | Alexar Therapeutics, Inc. (US) | 2015-01-07 | — | — | EP | disclosed |
| EP-2797875-A1 | CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 | Pharmacyclics, Inc. (US) | 2014-11-05 | — | — | EP | disclosed |
| EP-2771010-A2 | USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) | Pharmacyclics, Inc. (US) | 2014-09-03 | — | — | EP | disclosed |
| EP-2768810-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2014-08-27 | — | — | EP | disclosed |
| EP-2726077-A2 | METHODS AND COMPOSITIONS FOR INHIBITION OF BONE RESORPTION | Pharmacyclics, Inc. (US) | 2014-05-07 | — | — | EP | disclosed |
| WO-2013130892-A1 | LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS | ANAYADERM, INC. (US) | 2013-09-06 | — | — | WO | disclosed |
| WO-2013101600-A1 | CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 | PHARMACYCLICS, INC. (US) | 2013-07-04 | — | — | WO | disclosed |
| WO-2013059738-A2 | USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) | PHARMACYCLICS, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| WO-2013059666-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| EP-2582374-A2 | METHODS FOR TREATING NEUROLOGICAL CONDITIONS | Afraxis, Inc. (US) | 2013-04-24 | — | — | EP | disclosed |
| WO-2013003629-A2 | METHODS AND COMPOSITIONS FOR INHIBITION OF BONE RESORPTION | PHARMACYCLICS, INC. (US) | 2013-01-03 | — | — | WO | disclosed |
| WO-2011159945-A2 | METHODS FOR TREATING NEUROLOGICAL CONDITIONS | AFRAXIS, INC. (US) | 2011-12-22 | — | — | WO | disclosed |