⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28452466 | 0.94 | — | — | |
| SCHEMBL12871390 | 0.85 | — | — | |
| SCHEMBL8050660 | 0.83 | — | — | |
| SCHEMBL22897503 | 0.79 | — | — | |
| SCHEMBL6910847 | 0.79 | TSHR (0.54) | — | |
| SCHEMBL8113437 | 0.78 | — | — | |
| SCHEMBL13208655 | 0.77 | SLC22A6 (0.35) | — | |
| SCHEMBL8060557 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL29253927 | 0.75 | TSHR (0.45) | — | |
| SCHEMBL8931309 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110167977-A | Conjugated diene polymer, conjugated diene polymer composition and tire | 日本弹性体株式会社 | 2019-08-23 | — | — | CN | disclosed |
| CN-109384982-A | Modified conjugated diene polymer composition and tire | 旭化成株式会社 | 2019-02-26 | — | — | CN | disclosed |