⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL504520 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9073585 | 0.94 | — | — | |
| Acetic Acid SCHEMBL2164879 | 0.81 | GRIK1 (0.42) | — | |
| SCHEMBL174163 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL547389 | 0.78 | — | — | |
| SCHEMBL30978336 | 0.78 | — | — | |
| SCHEMBL27779617 | 0.75 | GRIK1 (0.34) | — | |
| SCHEMBL175675 | 0.74 | — | — | |
| Chloromethane SCHEMBL27813211 | 0.73 | GRIK1 (0.33) | — | |
| SCHEMBL2015578 | 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-105026440-B | Modified conjugated diene polymer, method for producing same, polymer composition, crosslinked polymer, and tire | JSR株式会社 | 2018-02-16 | — | — | CN | disclosed |