⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30628844 | 0.88 | — | — | |
| SCHEMBL9890 | 0.85 | — | — | |
| Bromide SCHEMBL5755866 | 0.83 | RAB9A (0.57) | — | |
| SCHEMBL14361190 | 0.76 | LTA4H (0.57) | — | |
| SCHEMBL1256203 | 0.74 | NPC1 (0.49) | — | |
| SCHEMBL8155234 | 0.74 | — | — | |
| SCHEMBL1002382 | 0.73 | LTA4H (0.59) | — | |
| SCHEMBL23958231 | 0.72 | — | — | |
| SCHEMBL20678836 | 0.72 | — | — | |
| SCHEMBL1921437 | 0.72 | MET (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2740730-B1 | DIBENZOOXEPIN DERIVATIVE | KYOWA HAKKO KIRIN CO LTD (JP) | 2016-11-16 | — | — | EP | disclosed |
| US-8969345-B2 | Dibenzooxepin derivative | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2015-03-03 | — | — | US | disclosed |
| US-20140163008-A1 | DIBENZOOXEPIN DERIVATIVE | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2014-06-12 | — | — | US | disclosed |
| EP-2740730-A1 | DIBENZOOXEPIN DERIVATIVE | Kyowa Hakko Kirin Co., Ltd. (JP) | 2014-06-11 | — | — | EP | disclosed |
| US-20130131021-A1 | ANALOGUES OF CILOSTAZOL | CONCERT PHARMACEUTICALS INC. (US) | 2013-05-23 | — | — | US | disclosed |