⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16473399 | 0.97 | THRB (0.43) | — | |
| SCHEMBL6845511 | 0.97 | THRB (0.43) | — | |
| SCHEMBL6847483 | 0.92 | — | — | |
| SCHEMBL169709 | 0.81 | — | — | |
| SCHEMBL258456 | 0.81 | CA12 (0.41) | — | |
| SCHEMBL29173088 | 0.80 | — | — | |
| SCHEMBL456550 | 0.79 | THRB (0.44) | — | |
| SCHEMBL15722834 | 0.79 | THRB (0.44) | — | |
| SCHEMBL3716811 | 0.79 | THRB (0.44) | — | |
| SCHEMBL6272161 | 0.79 | THRB (0.44) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6770779-B1 | ALKYLATION OF YELLOW PHOSPHORUS WITH ALKYLATING IN BASE TO FORM METAL SALT OF ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION | CLARIANT GMBH (DE) | 2004-08-03 | — | — | US | claimed |
| EP-1055679-B1 | Process for the preparation of alkylphosphonous acid esters | CLARIANT GMBH (DE) | 2003-08-06 | — | — | EP | claimed |
| EP-1055676-B1 | Process for the preparation of dialkylphosphinic acids and their salts | CLARIANT GMBH (DE) | 2003-08-06 | — | — | EP | claimed |
| EP-1055677-B1 | Process for the preparation of phosphinic acid esters | CLARIANT GMBH (DE) | 2003-03-05 | — | — | EP | claimed |
| US-6359171-B1 | ALKYLATION PHOSPHORUS; ESTERIFICATION | CLARIANT GMBH (DE) | 2002-03-19 | — | — | US | claimed |
| US-6278012-B1 | REACTING ELEMENTAL YELLOW PHOSPHORUS WITH ALKYLATING AGENTS IN PRESENCE OF A BASE TO GIVE A MIXTURE COMPRISING ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION; ISOLATING AND ADDING TO OLEFIN COMPOUND | CLARIANT GMBH (DE) | 2001-08-21 | — | — | US | claimed |
| US-6770779-B1 | ALKYLATION OF YELLOW PHOSPHORUS WITH ALKYLATING IN BASE TO FORM METAL SALT OF ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION | CLARIANT GMBH (DE) | 2004-08-03 | — | — | US | disclosed |
| US-6359171-B1 | ALKYLATION PHOSPHORUS; ESTERIFICATION | CLARIANT GMBH (DE) | 2002-03-19 | — | — | US | disclosed |
| US-6278012-B1 | REACTING ELEMENTAL YELLOW PHOSPHORUS WITH ALKYLATING AGENTS IN PRESENCE OF A BASE TO GIVE A MIXTURE COMPRISING ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION; ISOLATING AND ADDING TO OLEFIN COMPOUND | CLARIANT GMBH (DE) | 2001-08-21 | — | — | US | disclosed |
| US-4474711-A | Process for the preparation of monoalkyl phosphonites | HOECHST AG (DE) | 1984-10-02 | — | — | US | disclosed |