⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10383795 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL9794681 | 0.68 | — | — | |
| SCHEMBL27576692 | 0.64 | — | — | |
| SCHEMBL24369884 | 0.62 | — | — | |
| SCHEMBL6153763 | 0.61 | — | — | |
| SCHEMBL16154045 | 0.61 | — | — | |
| SCHEMBL11336483 | 0.59 | — | — | |
| SCHEMBL30827479 | 0.59 | — | — | |
| SCHEMBL55417 | 0.58 | — | — | |
| SCHEMBL5591327 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551832-A1 | 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2005-07-13 | — | — | EP | disclosed |
| US-6727249-B2 | FOR THERAPY AND PROPHYLAXIS OF PAIN OR INFLAMMATION, MIGRAINE, EMESIS, POSTHERPETIC NEURALGIA, DEPRESSION OR ANXIETY | MERCK SHARP & DOHME LTD. (GB) | 2004-04-27 | — | — | US | disclosed |
| WO-2004031185-A1 | 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2004-04-15 | — | — | WO | disclosed |
| US-20020193402-A1 | Azabicyclic ether derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2002-12-19 | — | — | US | disclosed |