⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51388 | 1.00 | — | — | |
| SCHEMBL28248368 | 0.95 | — | — | |
| Ether SCHEMBL15348818 | 0.80 | — | — | |
| Thioglycolic Acid SCHEMBL331990 | 0.73 | FFAR3 (0.42) | — | |
| SCHEMBL14295892 | 0.71 | — | — | |
| Propane SCHEMBL27351657 | 0.71 | — | — | |
| SCHEMBL1548060 | 0.67 | — | — | |
| SCHEMBL663125 | 0.67 | — | — | |
| Hydrogen Peroxide SCHEMBL25425374 | 0.63 | — | — | |
| Butane SCHEMBL2560984 | 0.63 | — | — |
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-4405705-A | HYDROPHILIC | TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) | 1983-09-20 | — | — | US | disclosed |