⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL105423 | 1.00 | — | — | |
| SCHEMBL105424 | 1.00 | — | — | |
| SCHEMBL106665 | 0.87 | SIGMAR1 (0.37) | — | |
| SCHEMBL3598995 | 0.87 | SIGMAR1 (0.37) | — | |
| SCHEMBL3601264 | 0.87 | SIGMAR1 (0.37) | — | |
| SCHEMBL104568 | 0.85 | HTR2C (0.32) | — | |
| SCHEMBL104569 | 0.85 | HTR2C (0.32) | — | |
| SCHEMBL102209 | 0.81 | NR1H2 (0.36) | — | |
| SCHEMBL102211 | 0.81 | NR1H2 (0.36) | — | |
| SCHEMBL102208 | 0.81 | NR1H2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2426113-A1 | CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER | Kowa Company, Ltd. (JP) | 2012-03-07 | — | — | EP | disclosed |