⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1401893 | 0.75 | FFAR1 (0.31) | — | |
| SCHEMBL10392673 | 0.71 | — | — | |
| Cis-2-Penten-1-Ol SCHEMBL242085 | 0.68 | — | — | |
| Cis-2-Penten-1-Ol SCHEMBL310061 | 0.68 | — | — | |
| Cis-2-Penten-1-Ol SCHEMBL96103 | 0.68 | — | — | |
| Alcohol SCHEMBL27995483 | 0.67 | — | — | |
| SCHEMBL59853 | 0.65 | — | — | |
| Ethylene Glycol SCHEMBL4667609 | 0.65 | TSHR (0.42) | — | |
| Methyl Alcohol SCHEMBL11059150 | 0.64 | — | — | |
| Methyl Alcohol SCHEMBL11059144 | 0.64 | — | — |
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-4451561-A | Heat-development-type image recording material | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1984-05-29 | — | — | US | disclosed |