⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23495993 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL60651 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL2825666 | 0.69 | — | — | |
| SCHEMBL677804 | 0.69 | NPC1 (0.33) | — | |
| SCHEMBL6162150 | 0.68 | — | — | |
| SCHEMBL6162929 | 0.67 | NPC1 (0.33) | — | |
| SCHEMBL2228151 | 0.66 | NPC1 (0.41) | — | |
| SCHEMBL4363284 | 0.66 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL5053443 | 0.64 | NPC1 (0.32) | — | |
| SCHEMBL6678233 | 0.64 | NPC1 (0.32) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0357048-B1 | Process for transhalogenating a halophosphorus compound with hydrogen fluoride | ALBEMARLE CORP (US) | 1994-09-28 | — | — | EP | disclosed |
| EP-0358985-B1 | Method of transhalogenating a halophosphorus compound with fluoride | ETHYL CORP (US) | 1994-03-16 | — | — | EP | disclosed |
| EP-0312790-B1 | Process for transhalogenating a halophosphorus compound with fluoride | ETHYL CORP (US) | 1993-11-18 | — | — | EP | disclosed |
| US-5136075-A | Process for transhalogenating a halophosphorus compound with fluoride | ETHYL CORPORATION (US) | 1992-08-04 | — | — | US | disclosed |
| US-5061818-A | Fluorination with metal or ammonium fluoride in presence of pyridine halide salt | ETHYL CORPORATION (US) | 1991-10-29 | — | — | US | disclosed |
| US-5049691-A | Process for transhalogenating a halophosphorous compound with anhydrous hydrogen fluoride | ETHYL CORPORATION (US) | 1991-09-17 | — | — | US | disclosed |
| US-4929745-A | Transhalogenation of halophosphorus compounds | EHTYL CORPORATION (US) | 1990-05-29 | — | — | US | disclosed |
| EP-0358985-A1 | Method of transhalogenating a halophosphorus compound with fluoride | ETHYL CORPORATION (US) | 1990-03-21 | — | — | EP | disclosed |
| US-4910324-A | Using a metal or ammonium fluoride | ETHYL CORPORATION (US) | 1990-03-20 | — | — | US | disclosed |
| EP-0357048-A2 | Process for transhalogenating a halophosphorus compound with hydrogen fluoride | ALBEMARLE CORPORATION (US) | 1990-03-07 | — | — | EP | disclosed |
| EP-0353598-A2 | Transhalogenation of halophosphorus compounds | ETHYL CORPORATION (US) | 1990-02-07 | — | — | EP | disclosed |
| EP-0312790-A2 | Process for transhalogenating a halophosphorus compound with fluoride | ETHYL CORPORATION (US) | 1989-04-26 | — | — | EP | disclosed |