⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL27443316 | 0.97 | TDP1 (0.69) | — | |
| Butadiene SCHEMBL28152965 | 0.94 | TDP1 (0.65) | — | |
| Butadiene SCHEMBL2133137 | 0.87 | — | — | |
| SCHEMBL28215697 | 0.87 | — | — | |
| Water SCHEMBL11786429 | 0.86 | — | — | |
| SCHEMBL10789863 | 0.86 | — | — | |
| SCHEMBL14868 | 0.86 | — | — | |
| SCHEMBL9859678 | 0.86 | TDP1 (1.00) | — | |
| Butadiene SCHEMBL28286276 | 0.85 | TDP1 (0.61) | — | |
| SCHEMBL5547539 | 0.84 | TDP1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109154688-A | Polarizing plate | 住友化学株式会社 | 2019-01-04 | — | — | CN | disclosed |
| CN-106661283-B | Rubber composition for tire and pneumatic tire | 横滨橡胶株式会社 | 2018-11-16 | — | — | CN | disclosed |
| CN-105073808-B | The manufacturing method of radial conjugated diene rubber | 日本瑞翁株式会社 | 2018-06-29 | — | — | CN | disclosed |
| CN-106661283-A | Rubber composition and pneumatic tire using same | 横滨橡胶株式会社 | 2017-05-10 | — | — | CN | disclosed |