⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4526398 | 0.81 | CYP2D6 (0.48) | — | |
| SCHEMBL4526438 | 0.72 | — | — | |
| SCHEMBL4528810 | 0.72 | — | — | |
| SCHEMBL4532137 | 0.71 | CYP2D6 (0.33) | — | |
| SCHEMBL4530692 | 0.70 | — | — | |
| SCHEMBL6078260 | 0.68 | MEN1 (0.39) | — | |
| SCHEMBL2439391 | 0.60 | CYP1A2 (0.43) | — | |
| SCHEMBL4525850 | 0.60 | MGLL (0.33) | — | |
| SCHEMBL4520833 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL4526100 | 0.60 | F10 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090076015-A1 | Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2009-03-19 | — | — | US | disclosed |
| EP-1864984-A1 | TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2007-12-12 | — | — | EP | disclosed |