⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3623472 | 0.85 | — | — | |
| SCHEMBL5296444 | 0.79 | KCNH2 (0.30) | — | |
| SCHEMBL17368831 | 0.76 | CYP11B1 (0.33) | — | |
| SCHEMBL127016 | 0.76 | — | — | |
| SCHEMBL126707 | 0.76 | — | — | |
| SCHEMBL126686 | 0.76 | — | — | |
| SCHEMBL320777 | 0.73 | KCNH2 (0.33) | — | |
| SCHEMBL1811309 | 0.73 | KCNH2 (0.33) | — | |
| SCHEMBL3505574 | 0.73 | KCNH2 (0.33) | — | |
| SCHEMBL27426090 | 0.73 | CYP11B1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180127539-A1 | FUNCTIONALIZED LINEAR AND CYCLIC POLYOLEFINS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-05-10 | — | — | US | disclosed |
| US-9890239-B2 | Functionalized linear and cyclic polyolefins | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-02-13 | — | — | US | disclosed |
| EP-3107898-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | Takeda Pharmaceutical Company Limited (JP) | 2016-12-28 | — | — | EP | disclosed |
| US-20160215089-A1 | FUNCTIONALIZED LINEAR AND CYCLIC POLYOLEFINS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-07-28 | — | — | US | disclosed |
| WO-2015124932-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA CAMBRIDGE LIMITED (GB) | 2015-08-27 | — | — | WO | disclosed |
| EP-0743938-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-11-27 | — | — | EP | disclosed |
| WO-1995021817-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-08-17 | — | — | WO | disclosed |