⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3915084 | 0.93 | CCR5 (0.32) | — | |
| SCHEMBL3916109 | 0.84 | CYP3A4 (0.32) | — | |
| SCHEMBL3926289 | 0.84 | CCR5 (0.33) | — | |
| SCHEMBL4032115 | 0.80 | CCR5 (0.30) | — | |
| SCHEMBL3914971 | 0.78 | CCR5 (0.35) | — | |
| SCHEMBL3922314 | 0.76 | CYP3A4 (0.33) | — | |
| Benzamide SCHEMBL3917667 | 0.75 | CCR5 (0.37) | — | |
| SCHEMBL4038217 | 0.73 | CCR5 (0.32) | — | |
| SCHEMBL4032617 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL3920466 | 0.72 | POLB (0.42) | — |
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-7560468-B2 | Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds | GRUENENTHAL GMBH (DE) | 2009-07-14 | — | — | US | disclosed |
| US-20070015783-A1 | Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds | GRUENENTHAL GMBH (DE) | 2007-01-18 | — | — | US | disclosed |