⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15453 | 0.97 | — | — | |
| SCHEMBL20541888 | 0.97 | — | — | |
| SCHEMBL27940545 | 0.97 | — | — | |
| SCHEMBL2068862 | 0.95 | — | — | |
| SCHEMBL28381491 | 0.95 | — | — | |
| Methane SCHEMBL152003 | 0.95 | — | — | |
| SCHEMBL28058870 | 0.95 | — | — | |
| SCHEMBL28580934 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL8182470 | 0.95 | — | — | |
| Water SCHEMBL8925696 | 0.95 | — | — |
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-4857424-A | ORGANOSILICONATE WETTING AENT | RAYOVAC CORPORATION (US) | 1989-08-15 | — | — | US | disclosed |