⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1921995 | 0.79 | — | — | |
| SCHEMBL269434 | 0.79 | ALDH1A1 (0.33) | — | |
| Methane SCHEMBL11045573 | 0.77 | — | — | |
| SCHEMBL1894944 | 0.77 | — | — | |
| SCHEMBL11311308 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL504341 | 0.77 | — | — | |
| SCHEMBL9651022 | 0.75 | — | — | |
| SCHEMBL6840159 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL699548 | 0.74 | — | — | |
| SCHEMBL2320076 | 0.74 | — | — |
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 20 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 |
| CN-117700448-A | Preparation method of 4- (hydroxymethyl phosphono) -2-carbonyl butyric acid | 浙江新安化工集团股份有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-113004325-B | Method for tubular continuous synthesis of (3-acetoxy-3-cyanopropyl) -methylphosphinic acid alkyl ester | 浙江新安化工集团股份有限公司 | 2023-03-17 | — | — | CN | disclosed |
| CN-111909199-B | Resource utilization method for rectification high-boiling residues of diethyl methylphosphonite | 浙江新安化工集团股份有限公司 | 2021-09-14 | — | — | CN | disclosed |
| CN-113004325-A | Method for tubular continuous synthesis of (3-acetoxy-3-cyanopropyl) -methyl alkyl phosphinate | 浙江新安化工集团股份有限公司 | 2021-06-22 | — | — | CN | disclosed |
| CN-111909199-A | Resource utilization method for rectification high-boiling residues of diethyl methylphosphonite | 浙江新安化工集团股份有限公司 | 2020-11-10 | — | — | CN | disclosed |
| 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-5567840-A | AS 4-AMINOBUTYRIC ACID AGONIST; MUSCLE RELAXANTS | CIBA-GEIGY CORPORATION (US) | 1996-10-22 | — | — | US | disclosed |
| US-5461040-A | Therapy of spinal spacticity, multiple sclerosis, cerebral palsy, trigeminus neuralgia, drug withdrawal, pain | CIBA-GEIGY CORPORATION (US) | 1995-10-24 | — | — | US | disclosed |
| EP-0399949-B1 | Substituted aminoalkylphosphinic acids | CIBA GEIGY AG (CH) | 1995-04-12 | — | — | EP | disclosed |
| US-5281747-A | Pharmaceuticals | CIBA-GEIGY CORPORATION (US) | 1994-01-25 | — | — | US | disclosed |
| EP-0399949-A1 | Substituted aminoalkylphosphinic acids | CIBA-GEIGY AG (CH) | 1990-11-28 | — | — | EP | disclosed |
| US-4384966-A | FRICTION AND WEAR RESISTANCE ADDITIVES FOR LUBRICANTS, FIREPROOFING POLYMERS | CIBA-GEIGY CORPORATION (US) | 1983-05-24 | — | — | US | disclosed |