⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7873011 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL7139162 | 0.80 | — | — | |
| SCHEMBL29242095 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL7869257 | 0.78 | — | — | |
| SCHEMBL9780436 | 0.78 | — | — | |
| SCHEMBL15978395 | 0.78 | — | — | |
| SCHEMBL9780434 | 0.78 | — | — | |
| SCHEMBL7863981 | 0.78 | — | — | |
| SCHEMBL9630013 | 0.78 | — | — | |
| SCHEMBL7863883 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63233942-A | — | — | None | — | — | JP | 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 |
| EP-0284363-B1 | 2, 6-DIMETHYL OCTYLFORMATE AND AN ATTRACTANT OF TRIBOLIUM CASTANEUM HERBST | Japan Tobacco Inc. (JP) | 1991-05-22 | — | — | EP | disclosed |
| JP-S63233942-A | 2,6-DIMETHYLOCTYL FORMATE AND ATTRACTANT FOR TRIBOLIUM CASTANEUM HERBST | JAPAN TOBACCO INC | 1988-09-29 | — | — | JP | disclosed |
| EP-0284363-A1 | 2, 6-dimethyl octylformate and an attractant of tribolium castaneum herbst | Japan Tobacco Inc. (JP) | 1988-09-28 | — | — | EP | disclosed |