⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170480 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL11600663 | 0.79 | — | — | |
| SCHEMBL11600898 | 0.79 | — | — | |
| SCHEMBL11600393 | 0.79 | — | — | |
| SCHEMBL19834308 | 0.79 | — | — | |
| SCHEMBL8769656 | 0.75 | TDP1 (0.37) | — | |
| SCHEMBL220570 | 0.74 | — | — | |
| SCHEMBL29069354 | 0.74 | — | — | |
| Dimethylamine SCHEMBL27711782 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL114852 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006037558-A1 | COMPOSITION COMPRISING ORGANOPOLYSILOXANE PARTICLES AND PRODUCTION THEREOF | WACKER-CHEMIE GMBH (DE) | 2006-04-13 | — | — | WO | disclosed |