⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21652432 | 0.82 | — | — | |
| SCHEMBL868361 | 0.82 | — | — | |
| SCHEMBL21010238 | 0.77 | L3MBTL1 (0.31) | — | |
| SCHEMBL7583306 | 0.73 | — | — | |
| SCHEMBL5448315 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL19157870 | 0.73 | — | — | |
| SCHEMBL13614969 | 0.69 | — | — | |
| SCHEMBL22132908 | 0.69 | — | — | |
| SCHEMBL20653944 | 0.69 | — | — | |
| SCHEMBL16789870 | 0.69 | — | — |
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-0773915-B1 | PURIFICATION OF ALLYL CHLORIDE | SHELL INT RESEARCH (NL) | 1999-04-28 | — | — | EP | disclosed |
| US-5723703-A | CHLORINATION OF HEXADIENES, HEXENES AND CYCLOALIPHATIC HEXENES | SHELL OIL COMPANY (US) | 1998-03-03 | — | — | US | disclosed |
| EP-0773915-A1 | PURIFICATION OF ALLYL CHLORIDE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996003362-A1 | PURIFICATION OF ALLYL CHLORIDE | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1996-02-08 | — | — | WO | disclosed |