⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30605 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL8607618 | 0.83 | — | — | |
| SCHEMBL1075958 | 0.79 | LPAR2 (0.31) | — | |
| Acetone SCHEMBL11806248 | 0.78 | TSHR (0.36) | — | |
| Benzene SCHEMBL19952996 | 0.78 | PKM (0.33) | — | |
| SCHEMBL28621941 | 0.76 | — | — | |
| SCHEMBL11322708 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL4683714 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL5851977 | 0.75 | — | — | |
| SCHEMBL1008805 | 0.75 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001507707-A | — | — | 2001-06-12 | — | — | JP | claimed |
| EP-0948503-A1 | PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | claimed |
| US-5861525-A | Method for preparing cyanophosphonate derivatives from phosphate esters and cyanide | MONSANTO COMPANY (US) | 1999-01-19 | — | — | US | claimed |
| WO-1998029424-A1 | PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | claimed |
| US-20160276155-A1 | DOPANT PRECURSORS FOR MONO-LAYER DOPING | ENTEGRIS, INC. (US) | 2016-09-22 | — | — | US | disclosed |
| WO-2015080985-A1 | DOPANT PRECURSORS FOR MONO-LAYER DOPING | ENTEGRIS, INC. (US) | 2015-06-04 | — | — | WO | disclosed |
| EP-0948503-A1 | PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | disclosed |
| US-5861525-A | Method for preparing cyanophosphonate derivatives from phosphate esters and cyanide | MONSANTO COMPANY (US) | 1999-01-19 | — | — | US | disclosed |
| WO-1998029424-A1 | PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | disclosed |
| EP-0316918-A2 | Capryloyloxyalkyl acrylates, polymers and copolymers thereof and their preparation | Ceskoslovenska akademie ved (CS) | 1989-05-24 | — | — | EP | disclosed |
| US-4129710-A | Fire retardant copolymer of triallyl phosphate and a bis (hydrocarbyl) vinylphosphonate | STAUFFER CHEMICAL COMPANY (US) | 1978-12-12 | — | — | US | disclosed |