⚠ 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL29178170 | 0.79 | ALDH1A1 (0.33) | — | |
| Phosphoric Acid SCHEMBL190893 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL1398526 | 0.77 | — | — | |
| SCHEMBL8372035 | 0.74 | — | — | |
| SCHEMBL2100511 | 0.74 | — | — | |
| SCHEMBL1536260 | 0.74 | — | — | |
| SCHEMBL2468752 | 0.74 | — | — | |
| SCHEMBL5613441 | 0.72 | — | — | |
| SCHEMBL10413337 | 0.72 | — | — | |
| SCHEMBL7160307 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1180866-C | Multiple solvent extraction method | 黄 铭 | 2004-12-22 | — | — | CN | claimed |
| CN-1443592-A | Multiple solvent extraction method | HUANG MING (CN) | 2003-09-24 | — | — | CN | claimed |
| CN-104204091-B | Resin combination | 帝人株式会社 | 2019-06-14 | — | — | CN | disclosed |
| CN-106749781-B | Norborneol alkenes and perfluoro methyl vinyl ether binary copolymerization catalyst and binary copolymerization method | 宁波工程学院 | 2019-05-07 | — | — | CN | disclosed |
| CN-1180866-C | Multiple solvent extraction method | 黄 铭 | 2004-12-22 | — | — | CN | disclosed |
| CN-1443592-A | Multiple solvent extraction method | HUANG MING (CN) | 2003-09-24 | — | — | CN | disclosed |
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-5693396-A | NEAR INFRARED LIGHT ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0719839-A2 | Phthalocyanine compounds and optical recording media comprising them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-07-03 | — | — | EP | disclosed |