⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3503019 | 0.87 | — | — | |
| SCHEMBL8082266 | 0.85 | — | — | |
| SCHEMBL10340409 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL10340407 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL992095 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL13454198 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL13419032 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL19333598 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL1420718 | 0.70 | — | — | |
| SCHEMBL18689521 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0787750-B1 | Poly(alkylethylene) structural isomers | BOREALIS GMBH (AT) | 2003-05-14 | — | — | EP | claimed |
| EP-0787750-B1 | Poly(alkylethylene) structural isomers | BOREALIS GMBH (AT) | 2003-05-14 | — | — | EP | disclosed |
| EP-0821018-A2 | Crosslinkable olefinic polymers and method for their preparation | PCD-Polymere Gesellschaft m.b.H. (AT) | 1998-01-28 | — | — | EP | disclosed |
| EP-0792894-A2 | Continuous modification of polyolefins in solid phase | PCD-Polymere Gesellschaft m.b.H. (AT) | 1997-09-03 | — | — | EP | disclosed |
| EP-0787750-A2 | Poly(alkylethylene) structural isomers | PCD-Polymere Gesellschaft m.b.H. (AT) | 1997-08-06 | — | — | EP | disclosed |
| US-5162552-A | PREPARATION OF 4-ACETALS OF BUTENE-1,4-DIAL AND NOVEL ACETALS OF BUTENE-1,4-DIAL | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |
| EP-0246646-B1 | PROCESS FOR THE PREPARATION OF 4-ACETALS OF 1,4-BUTENE DIAL, AND ACETALS OF 1,4-BUTENE DIAL | BASF Aktiengesellschaft (DE) | 1991-01-09 | — | — | EP | disclosed |
| EP-0246646-A2 | Process for the preparation of 4-acetals of 1,4-butene dial, and acetals of 1,4-butene dial | BASF Aktiengesellschaft (DE) | 1987-11-25 | — | — | EP | disclosed |