⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2556789 | 0.92 | — | — | |
| Bromide SCHEMBL28103692 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL6188329 | 0.88 | — | — | |
| Water SCHEMBL4246169 | 0.88 | — | — | |
| Propane SCHEMBL28242754 | 0.88 | — | — | |
| Cyclopropane SCHEMBL27560277 | 0.81 | — | — | |
| SCHEMBL27473114 | 0.81 | — | — | |
| Bicarbonate SCHEMBL28272624 | 0.76 | GAA (0.41) | — | |
| SCHEMBL28335511 | 0.76 | — | — | |
| Bicarbonate SCHEMBL28272625 | 0.76 | GAA (0.41) | — |
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-20140366918-A1 | COMPOSITIONS AND METHODS FOR CLEANING MANAGEMENT | THE BUTCHER COMPANY | 2014-12-18 | — | — | US | disclosed |