⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9569899 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL9809173 | 0.81 | — | — | |
| SCHEMBL9569888 | 0.80 | — | — | |
| SCHEMBL9569880 | 0.70 | — | — | |
| SCHEMBL9569849 | 0.70 | — | — | |
| SCHEMBL9569885 | 0.66 | — | — | |
| SCHEMBL517250 | 0.65 | ALDH1A1 (0.45) | — | |
| SCHEMBL28937830 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL1240770 | 0.62 | DGAT1 (0.36) | — | |
| SCHEMBL9569872 | 0.61 | ALDH1A1 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5227500-A | Halogenated 1,3-dioxolanes and derivatives | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-07-13 | — | — | US | disclosed |
| EP-0529741-A1 | Procedure for the preparation of halogenated 1,3-dioxolanes | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-03-03 | — | — | EP | disclosed |
| US-5057586-A | Fluoropolymers | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-10-15 | — | — | US | disclosed |
| US-4973714-A | ADDITION POLYMERS, FLUOROPOLYMERS, HEAT RESISTANCE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-11-27 | — | — | US | disclosed |
| US-4810806-A | FROM A HALOETHYL CARBOXYLATE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-03-07 | — | — | US | disclosed |
| EP-0301881-A1 | Halogenated 1,3-dioxolanes and derivatives | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-02-01 | — | — | EP | disclosed |