⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8489660 | 1.00 | — | — | |
| SCHEMBL8488573 | 0.96 | SIGMAR1 (0.32) | — | |
| SCHEMBL8485655 | 0.88 | S1PR1 (0.36) | — | |
| SCHEMBL8490617 | 0.88 | S1PR1 (0.36) | — | |
| SCHEMBL8488054 | 0.85 | — | — | |
| SCHEMBL8488604 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL8487218 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL8489937 | 0.84 | SIGMAR1 (0.33) | — | |
| SCHEMBL8491771 | 0.81 | SIGMAR1 (0.35) | — | |
| SCHEMBL8488757 | 0.73 | PER2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5919431-A | 1,4,7,10-tetraazacyclododecane derivatives, their use, pharmaceutical agents containing these compounds and process for their production | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-07-06 | — | — | US | disclosed |