⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12122477 | 1.00 | — | — | |
| SCHEMBL6275713 | 0.85 | — | — | |
| SCHEMBL599901 | 0.76 | TSHR (0.47) | — | |
| SCHEMBL2126615 | 0.76 | — | — | |
| SCHEMBL8375196 | 0.73 | — | — | |
| SCHEMBL16024939 | 0.73 | — | — | |
| SCHEMBL23846021 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL19819960 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL31380967 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL17274592 | 0.72 | TSHR (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143342-B | The emulsion aqueous solution, the dye compositions comprising the aqueous solution, the manufacture method of aqueous inkjet ink and the emulsion aqueous solution | 大日精化工业株式会社 | 2017-07-28 | — | — | CN | disclosed |
| CN-104884538-A | Pigment dispersant, production method for pigment dispersant, and pigment dispersion liquid | DAINICHISEIKA COLOR CHEM | 2015-09-02 | — | — | CN | disclosed |
| CN-102149732-B | Catalyst for living radical polymerization | UNIV KYOTO | 2014-07-09 | — | — | CN | disclosed |
| CN-103906770-A | Catalyst for living radical polymerization and polymerization process | NAT UNIV CORP KYOTO UNIV | 2014-07-02 | — | — | CN | disclosed |
| CN-1222505-C | Novel process for the preparation of N,N'-dialkylalkanediamines | MITSUI CHEMICALS INC (JP) | 2005-10-12 | — | — | CN | disclosed |
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| CN-1296472-A | Novel process for the preparation of N,N'-dialkylalkanediamines | MITSUI CHEMICALS INC (JP) | 2001-05-23 | — | — | CN | 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 |