⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1143162 | 0.84 | CA14 (0.33) | — | |
| SCHEMBL16095967 | 0.80 | — | — | |
| SCHEMBL18076253 | 0.78 | — | — | |
| SCHEMBL9696726 | 0.77 | — | — | |
| SCHEMBL25184404 | 0.76 | — | — | |
| SCHEMBL20336491 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL23067161 | 0.74 | DUT (0.31) | — | |
| SCHEMBL23355839 | 0.72 | DUT (0.31) | — | |
| SCHEMBL7139414 | 0.72 | PHF8 (0.35) | — | |
| SCHEMBL22068964 | 0.71 | DUT (0.33) | — |
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-1448195-B1 | N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION | ASTRAZENECA AB (SE) | 2006-11-02 | — | — | EP | disclosed |
| US-7129246-B2 | N-adamantlmethyl derivatives and intermediates as pharmaceutical compositions and processes for their preparation | ASTRAZENECA AB (SE) | 2006-10-31 | — | — | US | disclosed |
| US-20050010052-A1 | N-adamantlmethyl derivatives and intermediates as pharmaceutical compositions and processes for their preparation | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | US | disclosed |
| EP-1448195-A1 | N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION | AstraZeneca AB (SE) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003041707-A1 | N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION | ASTRAZENECA AB (SE) | 2003-05-22 | — | — | WO | disclosed |