⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14599339 | 0.87 | — | — | |
| SCHEMBL182830 | 0.87 | — | — | |
| SCHEMBL2589699 | 0.87 | — | — | |
| SCHEMBL28588977 | 0.83 | KEAP1 (0.30) | — | |
| SCHEMBL11635175 | 0.83 | — | — | |
| SCHEMBL8852749 | 0.83 | — | — | |
| SCHEMBL28756508 | 0.78 | — | — | |
| SCHEMBL23734753 | 0.73 | — | — | |
| SCHEMBL18250229 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL8349496 | 0.73 | TSHR (0.53) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8263657-B2 | Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2012-09-11 | — | — | US | disclosed |
| US-8097759-B2 | Inflammatory cytokine release inhibitor | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2012-01-17 | — | — | US | disclosed |
| US-20100274051-A1 | INFLAMMATORY CYTOKINE RELEASE INHIBITOR | INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) | 2010-10-28 | — | — | US | disclosed |
| US-20100113770-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2010-05-06 | — | — | US | disclosed |
| US-7626042-B2 | O-substituted hydroxyaryl derivatives | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2009-12-01 | — | — | US | disclosed |
| US-20080318956-A1 | INFLAMMATORY CYTOKINE RELEASE INHIBITOR | INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) | 2008-12-25 | — | — | US | disclosed |
| US-20080249071-A1 | INFLAMMATORY CYTOKINE RELEASE INHIBITOR | INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) | 2008-10-09 | — | — | US | disclosed |
| US-20080090779-A1 | ANTIALLERGIC AGENTS | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2008-04-17 | — | — | US | disclosed |
| US-20070185059-A1 | Antiallergic agents | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2007-08-09 | — | — | US | disclosed |
| US-20070185110-A1 | Antiallergic agents | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2007-08-09 | — | — | US | disclosed |