⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7873052 | 0.92 | — | — | |
| SCHEMBL7875842 | 0.90 | LCK (0.45) | — | |
| SCHEMBL7875904 | 0.90 | LCK (0.45) | — | |
| SCHEMBL28308715 | 0.87 | LCK (0.39) | — | |
| SCHEMBL2801364 | 0.82 | — | — | |
| SCHEMBL18107313 | 0.82 | DNM1 (0.45) | — | |
| SCHEMBL9063811 | 0.81 | — | — | |
| SCHEMBL3799305 | 0.79 | DNM1 (0.43) | — | |
| SCHEMBL10600385 | 0.77 | LCK (0.39) | — | |
| SCHEMBL1003367 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107021979-B | A kind of synthetic method of sulfuric silane | 江西宏柏新材料股份有限公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107021979-A | A kind of synthetic method of sulfuric silane | 景德镇宏柏化学科技有限公司 | 2017-08-08 | — | — | 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 |
| US-4027009-A | QUATERNARY POLY(ALKYLIMINO)ALKYLENE AS BILE ACID BINDERS | MERCK & CO., INC. (US) | 1977-05-31 | — | — | US | disclosed |