⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35819 | 0.83 | SMN1; SMN2 (0.36) | — | |
| Methane SCHEMBL7528421 | 0.81 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL28876704 | 0.79 | SLC6A3 (0.35) | — | |
| SCHEMBL28108712 | 0.79 | SMN1; SMN2 (0.33) | — | |
| Carbon Tetrachloride SCHEMBL28196161 | 0.77 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL11209082 | 0.74 | — | — | |
| SCHEMBL1930453 | 0.72 | TP53 (0.42) | — | |
| SCHEMBL8099322 | 0.70 | SLC6A3 (0.36) | — | |
| SCHEMBL9615984 | 0.70 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL28723399 | 0.70 | SMN1; SMN2 (0.34) | — |
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-4198131-A | Silicone resin optical devices | DOW CORNING CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |