⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4621524 | 0.85 | PYCR1 (0.35) | — | |
| SCHEMBL12073330 | 0.81 | — | — | |
| SCHEMBL2705472 | 0.79 | — | — | |
| SCHEMBL22858694 | 0.79 | LMNA (0.39) | — | |
| SCHEMBL11379681 | 0.79 | — | — | |
| SCHEMBL537444 | 0.79 | CA12 (0.45) | — | |
| SCHEMBL42300 | 0.76 | — | — | |
| SCHEMBL5406160 | 0.76 | — | — | |
| SCHEMBL11740017 | 0.76 | DPP4 (0.37) | — | |
| SCHEMBL19379185 | 0.76 | PYCR1 (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 |