⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17800 | 0.71 | — | — | |
| SCHEMBL1662273 | 0.71 | PIK3CD (0.73) | — | |
| SCHEMBL29538085 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL14636438 | 0.69 | — | — | |
| SCHEMBL1641406 | 0.67 | PIK3CD (0.39) | — | |
| SCHEMBL17612 | 0.67 | — | — | |
| SCHEMBL1145625 | 0.67 | — | — | |
| SCHEMBL320838 | 0.67 | — | — | |
| SCHEMBL1145624 | 0.67 | — | — | |
| SCHEMBL1274683 | 0.67 | — | — |
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-2018380-A2 | CNS ACTIVE FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES | Abbott Laboratories (US) | 2009-01-28 | — | — | EP | disclosed |
| WO-2007137030-A2 | CNS ACTIVE FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES | ABBOTT LABORATORIES (US) | 2007-11-29 | — | — | WO | disclosed |