⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7566844 | 0.88 | HSD17B10 (0.32) | — | |
| SCHEMBL7562429 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL2698450 | 0.74 | — | — | |
| SCHEMBL1173102 | 0.73 | CHRM1 (0.36) | — | |
| SCHEMBL27660703 | 0.72 | HSD17B10 (0.35) | — | |
| SCHEMBL18570173 | 0.71 | — | — | |
| SCHEMBL9340212 | 0.71 | HSD17B10 (0.31) | — | |
| SCHEMBL6053695 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL10487179 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL6376304 | 0.69 | THRB (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0387688-B1 | Method of producing asymmetrical glycol ethers with a terminal isolated double bond | HUELS CHEMISCHE WERKE AG (DE) | 1993-12-08 | — | — | EP | disclosed |
| US-4987268-A | REACTION OF ALKENYL HALIDE WITH ALCOHOLATE | HUELS AKTIENGESELLSCHAFT (DE) | 1991-01-22 | — | — | US | disclosed |
| EP-0387688-A2 | Method of producing asymmetrical glycol ethers with a terminal isolated double bond | HÜLS AKTIENGESELLSCHAFT (DE) | 1990-09-19 | — | — | EP | disclosed |