⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27587471 | 0.76 | — | — | |
| SCHEMBL24959 | 0.75 | — | — | |
| SCHEMBL28041822 | 0.75 | — | — | |
| SCHEMBL27943137 | 0.74 | — | — | |
| Alcohol SCHEMBL25253708 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL3780574 | 0.74 | THRB (0.40) | — | |
| Hydrochloric Acid SCHEMBL100218 | 0.73 | — | — | |
| SCHEMBL8415578 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL6651911 | 0.73 | — | — | |
| SCHEMBL6784233 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105849134-A | Conjugated diene based polymer and process for manufacturing conjugated diene based polymer | 日本瑞翁株式会社 | 2016-08-10 | — | — | CN | disclosed |
| CN-104302676-A | Method for producing conjugated diene rubber | ZEON CORP | 2015-01-21 | — | — | CN | disclosed |