⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL138020 | 0.57 | TSHR (0.52) | — | |
| SCHEMBL5338536 | 0.54 | — | — | |
| SCHEMBL16435 | 0.51 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL28546324 | 0.49 | TSHR (0.47) | — | |
| 1,2,3-Trichloropropane SCHEMBL19623 | 0.48 | — | — | |
| Hydrochloric Acid SCHEMBL11437100 | 0.48 | — | — | |
| Water SCHEMBL6706113 | 0.48 | — | — | |
| Ammonia Solution, Strong SCHEMBL6917054 | 0.48 | — | — | |
| Hydrochloric Acid SCHEMBL4605099 | 0.48 | — | — | |
| SCHEMBL11822312 | 0.48 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0605508-B1 | PROCESS FOR THE PREPARATION OF 3,4-DIHALO-1,2-EPOXYBUTANES | EASTMAN CHEM CO (US) | 1995-12-06 | — | — | EP | disclosed |
| EP-0605508-A1 | PROCESS FOR THE PREPARATION OF 3,4-DIHALO-1,2-EPOXYBUTANES. | EASTMAN KODAK CO (US) | 1994-07-13 | — | — | EP | disclosed |
| WO-1993005030-A1 | PROCESS FOR THE PREPARATION OF 3,4-DIHALO-1,2-EPOXYBUTANES | EASTMAN KODAK COMPANY (US) | 1993-03-18 | — | — | WO | disclosed |
| US-5103028-A | Reacting 3,4-epoxy-1-butene with halogen | EASTMAN KODAK COMPANY (US) | 1992-04-07 | — | — | US | disclosed |