⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL443754 | 0.97 | — | — | |
| SCHEMBL195392 | 0.97 | — | — | |
| SCHEMBL441789 | 0.97 | — | — | |
| SCHEMBL27750069 | 0.93 | — | — | |
| Ethylene Glycol SCHEMBL496500 | 0.88 | TDP1 (0.42) | — | |
| SCHEMBL15418558 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL8532407 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL17263410 | 0.75 | MAPK1 (0.36) | — | |
| SCHEMBL28815523 | 0.74 | ACACB (0.37) | — | |
| Hexylene Glycol SCHEMBL19379 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103159884-B | The application that hydrogen and organic zinc compound control for polymerization and polymer property | 切弗朗菲利浦化学公司 | 2016-12-21 | — | — | CN | disclosed |