⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21065774 | 1.00 | — | — | |
| SCHEMBL3173569 | 0.97 | — | — | |
| SCHEMBL1329682 | 0.97 | — | — | |
| SCHEMBL235759 | 0.75 | KDM4E (0.36) | — | |
| SCHEMBL317785 | 0.75 | KDM4E (0.36) | — | |
| Hydrochloric Acid SCHEMBL10694332 | 0.72 | KDM4E (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL9748105 | 0.72 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL10694337 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL21084386 | 0.71 | — | — | |
| SCHEMBL16594875 | 0.69 | — | — |
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-103764683-B | The manufacture method of modified conjugated diene polymer, modified conjugated diene polymer, modified conjugated diene polymer composition, rubber combination and tire | ASAHI KASEI CHEMICALS CORP. (JP) | 2016-01-20 | — | — | CN | disclosed |
| CN-103764683-A | Method for producing modified conjugated diene polymer, modified conjugated diene polymer, modified conjugated diene polymer composition, rubber composition, and tire | ASAHI KASEI CHEMICALS CORP | 2014-04-30 | — | — | CN | disclosed |