⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14397404 | 0.81 | — | — | |
| SCHEMBL2225856 | 0.72 | — | — | |
| SCHEMBL7744579 | 0.67 | — | — | |
| SCHEMBL27770285 | 0.67 | — | — | |
| SCHEMBL56391 | 0.64 | — | — | |
| SCHEMBL16037462 | 0.64 | ALDH1A1 (1.00) | — | |
| SCHEMBL14390529 | 0.61 | — | — | |
| Lithium SCHEMBL29763173 | 0.60 | — | — | |
| Lithium SCHEMBL29833770 | 0.60 | — | — | |
| SCHEMBL30321467 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4071549-A | Process for the preparation of bis-(beta-cyanoethyl) alkyl phosphine from tris-cyanoethyl phosphine | MONSANTO COMPANY (US) | 1978-01-31 | — | — | US | claimed |
| EP-1000969-B1 | Antistatic agent for synthetic polymer materials and method of application thereof | TAKEMOTO OIL & FAT CO LTD (JP) | 2002-10-09 | — | — | EP | disclosed |
| US-6225386-B1 | PHOSPHONIUM SULFONATE AND INORGANIC SULFONATE; DOESN'T ADVERSELY EFFECT NATURAAL HUE AND TRANSPARENCY OF MATERIAL | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 2001-05-01 | — | — | US | disclosed |
| EP-1000969-A1 | Antistatic agent for synthetic polymer materials and method of application thereof | Takemoto Yushi Kabushiki Kaisha (JP) | 2000-05-17 | — | — | EP | disclosed |