⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3570981 | 0.79 | CSNK1E (0.40) | — | |
| SCHEMBL3566915 | 0.79 | — | — | |
| SCHEMBL4282696 | 0.69 | — | — | |
| SCHEMBL11640562 | 0.68 | OPRM1 (0.37) | — | |
| SCHEMBL12346125 | 0.67 | KMT2A (0.35) | — | |
| SCHEMBL20073869 | 0.66 | — | — | |
| SCHEMBL19251358 | 0.65 | — | — | |
| SCHEMBL12524746 | 0.65 | — | — | |
| SCHEMBL4280631 | 0.65 | — | — | |
| SCHEMBL19449959 | 0.65 | OPRM1 (0.38) | — |
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-8404740-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2013-03-26 | — | — | US | disclosed |
| US-20100048554-A1 | Spirocyclic Cyclohexane Compounds | GRUENENTHAL GMBH (DE) | 2010-02-25 | — | — | US | disclosed |