⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL167723 | 0.78 | — | — | |
| SCHEMBL7613709 | 0.77 | — | — | |
| SCHEMBL16541576 | 0.76 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL7530918 | 0.76 | ALDH1A1 (0.53) | — | |
| SCHEMBL8998093 | 0.72 | — | — | |
| SCHEMBL8998097 | 0.72 | — | — | |
| SCHEMBL8998099 | 0.72 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL28868918 | 0.72 | HCAR2 (0.42) | — | |
| SCHEMBL8998068 | 0.72 | — | — | |
| SCHEMBL11707584 | 0.70 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4139163-A | — | — | None | — | — | JP | disclosed |
| EP-0496347-B1 | Methods of preparing fluorobenzene derivatives and related compounds | SAGAMI CHEM RES (JP) | 1996-09-04 | — | — | EP | disclosed |
| US-5391807-A | Methods of preparing fluorobenzene derivatives and related compounds | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1995-02-21 | — | — | US | disclosed |
| US-5344953-A | Fluorobenzene derivatives | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1994-09-06 | — | — | US | disclosed |
| US-5281742-A | Bis(fluorophenyl) carbonate derivatives | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1994-01-25 | — | — | US | disclosed |
| EP-0496347-A2 | Methods of preparing fluorobenzene derivatives and related compounds | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1992-07-29 | — | — | EP | disclosed |
| JP-H04139163-A | CARBAMIC ACID ESTER DERIVATIVE AND ITS PRODUCTION | CHISSO CORP | 1992-05-13 | — | — | JP | disclosed |
| EP-0051467-B1 | HEXITOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1986-08-13 | — | — | EP | disclosed |
| EP-0051467-A1 | Hexitol derivatives, their preparation and pharmaceutical compositions containing them | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1982-05-12 | — | — | EP | disclosed |