⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3024974 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL3840515 | 0.84 | ALDH1A1 (0.47) | — | |
| Biphenyl SCHEMBL2855816 | 0.84 | ALDH1A1 (0.47) | — | |
| SCHEMBL22634 | 0.76 | — | — | |
| SCHEMBL8619869 | 0.76 | — | — | |
| Cyclopentane SCHEMBL8371521 | 0.72 | — | — | |
| SCHEMBL1975264 | 0.72 | — | — | |
| Cyclopentane SCHEMBL22534486 | 0.72 | — | — | |
| SCHEMBL10694785 | 0.72 | — | — | |
| SCHEMBL9244343 | 0.71 | CA1 (0.33) | — |
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-108473684-A | The manufacturing method of siloxane polymer | 东丽精细化工株式会社 | 2018-08-31 | — | — | CN | disclosed |
| CN-102690375-B | Olefin polymerization reactor, polyolefin production system, and polyolefin production process | SUMITOMO CHEMICAL CO | 2015-05-06 | — | — | CN | disclosed |