⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3311939 | 0.85 | KMT2A (0.41) | — | |
| SCHEMBL3312705 | 0.78 | MEN1 (0.34) | — | |
| SCHEMBL9334077 | 0.74 | NPY1R (0.32) | — | |
| SCHEMBL3316211 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL25385726 | 0.67 | NPY1R (0.33) | — | |
| SCHEMBL404791 | 0.66 | HDAC11 (0.36) | — | |
| SCHEMBL6449169 | 0.66 | PTGDR2 (0.51) | — | |
| SCHEMBL3313281 | 0.65 | HDAC11 (0.32) | — | |
| SCHEMBL3316206 | 0.62 | EPHX2 (0.31) | — | |
| SCHEMBL2287094 | 0.61 | RAB9A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100113816-A1 | METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES | JSC GRINDEKS (LV) | 2010-05-06 | — | — | US | disclosed |
| EP-2129679-A2 | A METHOD FOR PREPARATION OF SUBSTITUTED ADAMANTYLARYLMAGNESIUM HALIDES | Grindeks, a joint stock company (LV) | 2009-12-09 | — | — | EP | disclosed |
| WO-2008080993-A2 | A METHOD FOR PREPARATION OF SUBSTITUTED ADAMANTYLARYLMAGNESIUM HALIDES | KALVINSH IVARS (LV) | 2008-07-10 | — | — | WO | disclosed |