⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19717570 | 0.76 | — | — | |
| SCHEMBL190697 | 0.76 | — | — | |
| SCHEMBL8402768 | 0.74 | — | — | |
| SCHEMBL259161 | 0.74 | — | — | |
| Alcohol SCHEMBL11720356 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL11435824 | 0.69 | — | — | |
| SCHEMBL11702742 | 0.64 | TSHR (0.40) | — | |
| SCHEMBL11702727 | 0.64 | TSHR (0.40) | — | |
| SCHEMBL7555925 | 0.63 | — | — | |
| SCHEMBL7869353 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020054568-A1 | METHOD FOR PRODUCING 3,4-DICHLORO-1-BUTENE | 昭和電工株式会社 | 2020-03-19 | — | — | WO | disclosed |