⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5666299 | 0.79 | — | — | |
| SCHEMBL8419853 | 0.73 | — | — | |
| SCHEMBL28272237 | 0.69 | — | — | |
| SCHEMBL6907542 | 0.69 | — | — | |
| SCHEMBL4730261 | 0.69 | — | — | |
| SCHEMBL9842114 | 0.65 | — | — | |
| Fluoride SCHEMBL27206897 | 0.62 | — | — | |
| Methane SCHEMBL28000160 | 0.62 | — | — | |
| SCHEMBL6058222 | 0.60 | — | — | |
| SCHEMBL6058221 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130165445-A1 | Aurora Kinase Modulators and Method of Use | AMGEN INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-8404694-B2 | Aurora kinase modulators and method of use | AMGEN INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20110065709-A1 | AURORA KINASE MODULATORS AND METHOD OF USE | AMGEN INC. (US) | 2011-03-17 | — | — | US | disclosed |
| EP-0724566-A1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011883-A1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-05-04 | — | — | WO | disclosed |
| US-5025051-A | Perchloric acid; piperidyl compound, fire retardant; light and heat resistant | FERRO CORPORATION (US) | 1991-06-18 | — | — | US | disclosed |