⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24616528 | 0.79 | SLC18A3 (0.33) | — | |
| SCHEMBL24615858 | 0.77 | KDM2B (0.30) | — | |
| SCHEMBL5679108 | 0.76 | CYP2C9 (0.48) | — | |
| SCHEMBL14536225 | 0.76 | CYP2C9 (0.48) | — | |
| SCHEMBL6618128 | 0.76 | CYP2C9 (0.48) | — | |
| SCHEMBL619864 | 0.76 | CYP2C9 (0.48) | — | |
| SCHEMBL6616482 | 0.76 | CYP2D6 (0.48) | — | |
| SCHEMBL6616486 | 0.76 | CYP2D6 (0.48) | — | |
| SCHEMBL24615860 | 0.75 | CHRM2 (0.32) | — | |
| SCHEMBL6988860 | 0.74 | MAP3K12 (0.30) | — |
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-1051417-B1 | PROCESS FOR THE PREPARATION OF 8-AZABICYCLO(3.2.1)OCTANE DERIVATIVES | SYNGENTA LTD (GB) | 2004-11-03 | — | — | EP | disclosed |
| US-6323343-B1 | REACING 8-(HALOUOROETHYL)-8-AZABICYCLO(3.2.1)OCTAN-3-ONE WITH ALKALI METAL CYANIDE IN PRESENCE OF ACID AND BASE, 3-CYANO-3-HYDROXY-8-(2,2,2-TRIFLUOROETHYL)-8-AZABICYCLO(3.2.1) OCTANE | SYNGENTA LIMITED (GB) | 2001-11-27 | — | — | US | disclosed |