⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14326986 | 0.69 | — | — | |
| SCHEMBL19242570 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL3717151 | 0.64 | — | — | |
| SCHEMBL3671559 | 0.64 | — | — | |
| SCHEMBL25628552 | 0.62 | — | — | |
| SCHEMBL24590431 | 0.62 | GRIN2D (0.30) | — | |
| SCHEMBL19447727 | 0.62 | — | — | |
| SCHEMBL3650166 | 0.61 | — | — | |
| SCHEMBL20038686 | 0.61 | — | — | |
| SCHEMBL3106063 | 0.61 | ALDH1A1 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2310053-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING A COMPLEX OF AMINOCYCLOHEXANE DERIVATIVES AND CYCLODEXTRIN | Merz Pharma GmbH & Co. KGaA (DE) | 2011-04-20 | — | — | EP | disclosed |
| WO-2009156160-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING A COMPLEX OF AMINOCYCLOHEXANE DERIVATIVES AND CYCLODEXTRIN | MERZ PHARMA GMBH & CO. KGAA (DE) | 2009-12-30 | — | — | WO | disclosed |