⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27728889 | 0.87 | — | — | |
| SCHEMBL27718111 | 0.85 | — | — | |
| SCHEMBL27705308 | 0.81 | — | — | |
| SCHEMBL28374521 | 0.80 | — | — | |
| SCHEMBL8677761 | 0.80 | — | — | |
| Putrescine SCHEMBL27732759 | 0.79 | — | — | |
| SCHEMBL28478768 | 0.78 | — | — | |
| SCHEMBL27515235 | 0.75 | APEX1 (0.31) | — | |
| SCHEMBL27388904 | 0.75 | — | — | |
| SCHEMBL28250707 | 0.75 | APEX1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114245792-A | Compound, polymer, composition for film formation, method for pattern formation, method for forming insulating film, method for producing compound, and method for producing iodine-containing vinyl polymer and acetylated derivative thereof | 三菱瓦斯化学株式会社 | 2022-03-25 | — | — | CN | disclosed |
| CN-102951981-A | Asymmetric hydrogenation method for ketone compound | UNIV SHANGHAI JIAOTONG | 2013-03-06 | — | — | CN | disclosed |
| WO-2012128582-A2 | A COMPOUND FOR INHIBITING HUMAN 11-β-HYDROXY STEROID DEHYDROGENASE TYPE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | HYUNDAI PHARM CO., LTD. (KR) | 2012-09-27 | — | — | WO | disclosed |
| WO-2004020370-A1 | METHOD AND APPARATUS FOR PRODUCING STYRENE BY CATALYTIC DEHYDRATION OF 1-PHENYLETHANOL | SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) | 2004-03-11 | — | — | WO | disclosed |
| US-20040044260-A1 | Method and apparatus for producing styrene by catalytic dehydration of 1-phenylethanol | SHELL OIL COMPANY | 2004-03-04 | — | — | US | disclosed |