⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6898843 | 0.75 | — | — | |
| SCHEMBL9842972 | 0.71 | — | — | |
| SCHEMBL23203046 | 0.69 | CHRNA7 (0.31) | — | |
| SCHEMBL8585800 | 0.69 | ELANE (0.32) | — | |
| SCHEMBL365626 | 0.69 | CHRNA7 (0.32) | — | |
| SCHEMBL5458200 | 0.69 | — | — | |
| SCHEMBL8911306 | 0.68 | KDM1A (0.32) | — | |
| SCHEMBL5453054 | 0.68 | RECQL (0.31) | — | |
| SCHEMBL6067732 | 0.68 | MAOA (0.38) | — | |
| SCHEMBL1863590 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0783472-A1 | PROCESS FOR THE MANUFACTURE OF SELECTED HALOGENATED HYDROCARBONS CONTAINING FLUORINE AND HYDROGEN AND COMPOSITIONS PROVIDED THEREIN | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0755302-A1 | BIDENTATE PHOSPHITE AND NICKEL CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-29 | — | — | EP | disclosed |
| EP-0730574-A1 | PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995028228-A1 | BIDENTATE PHOSPHITE AND NICKEL CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-10-26 | — | — | WO | disclosed |
| WO-1995014659-A1 | PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-06-01 | — | — | WO | disclosed |