⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL15771043 | 0.79 | — | — | |
| Cyclopentane SCHEMBL6063299 | 0.79 | — | — | |
| Ethane SCHEMBL5833696 | 0.78 | ALDH1A1 (0.31) | — | |
| Methane SCHEMBL4884575 | 0.78 | ALDH1A1 (0.31) | — | |
| Ethylene SCHEMBL5834104 | 0.76 | — | — | |
| SCHEMBL4939941 | 0.65 | GRIN2D (0.35) | — | |
| SCHEMBL5420209 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL19927050 | 0.61 | — | — | |
| SCHEMBL7629406 | 0.59 | — | — | |
| SCHEMBL5860810 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0930320-A1 | ETHYLENE/ALPHA-OLEFIN COPOLYMERS, COMPOSITIONS, AND PROCESSES FOR THE PREPARATION OF THE COPOLYMERS AND THE COMPOSITIONS | Mitsui Chemicals, Inc. (JP) | 1999-07-21 | — | — | EP | disclosed |