⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3321 | 0.82 | — | — | |
| SCHEMBL130058 | 0.64 | — | — | |
| SCHEMBL1488729 | 0.64 | — | — | |
| SCHEMBL176231 | 0.62 | — | — | |
| SCHEMBL21102335 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL66214 | 0.60 | — | — | |
| SCHEMBL65195 | 0.59 | — | — | |
| Bromide SCHEMBL2161951 | 0.59 | PDE10A (0.43) | — | |
| Hydrochloric Acid SCHEMBL30051365 | 0.59 | PDE10A (0.43) | — | |
| SCHEMBL3262719 | 0.58 | — | — |
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-20090043116-A1 | HETERO-POLYCYCLIC COMPOUNDS, AND COLORING MATTERS, PIGMENTS, DYES, COLOR-CHANGING MATERIAL COMPOSITIONS, AND COLOR-CHANGING FILMS, MADE BY USING THE COMPOUNDS | IDEMITSU KOSAN CO., LTD. (JP) | 2009-02-12 | — | — | US | claimed |
| EP-2601192-B1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICALS CO (JP) | 2017-03-01 | — | — | EP | disclosed |
| US-9029536-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-20130172292-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-04 | — | — | US | disclosed |
| EP-1651012-B1 | WHITE ORGANIC ELECTROLUMINESCENCE DEVICE | IDEMITSU KOSAN CO (JP) | 2013-04-17 | — | — | EP | disclosed |
| US-7745016-B2 | White organic electroluminescence device | IDEMITSU KOSAN CO., LTD. (JP) | 2010-06-29 | — | — | US | disclosed |
| US-20090043116-A1 | HETERO-POLYCYCLIC COMPOUNDS, AND COLORING MATTERS, PIGMENTS, DYES, COLOR-CHANGING MATERIAL COMPOSITIONS, AND COLOR-CHANGING FILMS, MADE BY USING THE COMPOUNDS | IDEMITSU KOSAN CO., LTD. (JP) | 2009-02-12 | — | — | US | disclosed |
| US-20080290329-A1 | HETERO-POLYCYCLIC COMPOUNDS, AND COLORING MATTERS, PIGMENTS, DYES, COLOR-CHANGING MATERIAL COMPOSITIONS, AND COLOR-CHANGING FILMS, MADE BY USING THE COMPOUNDS | IDEMITSU KOSAN CO., LTD. (JP) | 2008-11-27 | — | — | US | disclosed |
| US-7420065-B2 | Color-changing performance does not deteriorate even after used for long time and which is prevented from being unusable due to deposition of the coloring matter during storage | IDEMITSU KOSAN CO., LTD. (JP) | 2008-09-02 | — | — | US | disclosed |
| US-20060235060-A1 | Hetero-polycyclic compounds, and coloring matters, pigments, dyes, color-changing material compositions, and color-changing films, made by using the compounds | IDEMITSU KOSAN CO., LTD. (JP) | 2006-10-19 | — | — | US | disclosed |
| US-20060172147-A1 | White organic electroluminescence device | IDEMITSU KOSAN CO., LTD. (JP) | 2006-08-03 | — | — | US | disclosed |
| EP-1651012-A1 | WHITE ORGANIC ELECTROLUMINESCENCE DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2006-04-26 | — | — | EP | disclosed |
| EP-1593675-A1 | HETERO-POLYCYCLIC COMPOUNDS, AND COLORING MATTERS, PIGMENTS, DYES, COLOR-CHANGING MATERIAL COMPOSITIONS, AND COLOR-CHANGING FILMS, MADE BY USING THE COMPOUNDS | IDEMITSU KOSAN CO., LTD. (JP) | 2005-11-09 | — | — | EP | disclosed |