⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL134920 | 0.91 | — | — | |
| Isobutane SCHEMBL5096181 | 0.86 | — | — | |
| Isobutane SCHEMBL760795 | 0.86 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL27414391 | 0.84 | — | — | |
| Phosphonic Acid SCHEMBL20120865 | 0.82 | ALDH1A1 (0.46) | — | |
| Isopropyl Alcohol SCHEMBL27612728 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL29092949 | 0.80 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL27479683 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL7892712 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL27562717 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000510455-A | — | — | 2000-08-15 | — | — | JP | claimed |
| EP-0896540-A1 | USE OF PHOSPHONIC ACID ESTERS FOR THE TREATMENT OF FUNCTIONAL DISORDERS OF THE BRAIN AND DEPRESSION | Troponwerke GmbH & Co. KG (DE) | 1999-02-17 | — | — | EP | claimed |
| US-8058322-B2 | Flame-retardant flexible polyurethane foam | ICL-IP AMERICA INC. (US) | 2011-11-15 | — | — | US | disclosed |
| US-20090281205-A1 | Flame-retardant flexible polyurethane foam | ICL-IP AMERICA INC. | 2009-11-12 | — | — | US | disclosed |
| EP-1885788-A2 | FLAME-RETARDANT FLEXIBLE POLYURETHANE FOAM | Supresta LLC (US) | 2008-02-13 | — | — | EP | disclosed |
| WO-2007001717-A9 | FLAME-RETARDANT FLEXIBLE POLYURETHANE FOAM | SUPRESTA LLC (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007001717-A2 | FLAME-RETARDANT FLEXIBLE POLYURETHANE FOAM | SUPRESTA LLC (US) | 2007-01-04 | — | — | WO | disclosed |
| EP-0896540-A1 | USE OF PHOSPHONIC ACID ESTERS FOR THE TREATMENT OF FUNCTIONAL DISORDERS OF THE BRAIN AND DEPRESSION | Troponwerke GmbH & Co. KG (DE) | 1999-02-17 | — | — | EP | disclosed |
| US-5420328-A | Esterification with alcohol and hydrolysis | AFFYMAX TECHNOLOGIES, N.V. (AN) | 1995-05-30 | — | — | US | disclosed |
| US-5359115-A | Reacting phosphonic monoester with dialkylazodicarboxylate, triphenylphosphine and secondary alcohol to form diester, hydrolyzing selective ester to form monoester, coupling an aminoacid to yield peptidylphosphonate | AFFYMAX TECHNOLOGIES, N.V. (US) | 1994-10-25 | — | — | US | disclosed |