⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13431169 | 0.84 | — | — | |
| SCHEMBL3240184 | 0.78 | — | — | |
| SCHEMBL2149292 | 0.78 | — | — | |
| SCHEMBL8372665 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL8372667 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL14906811 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL226224 | 0.77 | — | — | |
| SCHEMBL21715099 | 0.76 | — | — | |
| SCHEMBL3674222 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL3679551 | 0.75 | TSHR (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-0904836-B1 | Process for producing unsaturated glycol diester and solid catalyst based on Rh and Te | MITSUBISHI CHEM CORP (JP) | 2004-10-06 | — | — | EP | disclosed |
| US-6111134-A | SUCH AS 1,4-DIACETOXY-2-BUTENE, BY REACTING CONJUGATED DIENE WITH CARBOXYLIC ACID AND MOLECULAR OXYGEN IN THE PRESENCE OF A SOLID CATALYST WITH GIVEN COORDINATION NUMBER RATIO OF RHODIUM AND TELLURIUM IN THE LIQUID PHASE UNDER PRESSURE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2000-08-29 | — | — | US | disclosed |
| EP-0904836-A2 | Process for producing unsaturated glycol diester and solid catalyst based on Rh and Te | Mitsubishi Chemical Corporation (JP) | 1999-03-31 | — | — | EP | disclosed |
| EP-0042098-A2 | Process for the preparation of 1-butene-3,4-diolemonoesters and 1-butene-3-alkyl-3,4-diolemonoesters | BASF Aktiengesellschaft (DE) | 1981-12-23 | — | — | EP | disclosed |