⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5571452 | 0.91 | — | — | |
| SCHEMBL10599407 | 0.91 | — | — | |
| SCHEMBL28762138 | 0.83 | — | — | |
| SCHEMBL28388232 | 0.82 | — | — | |
| SCHEMBL6940618 | 0.82 | — | — | |
| SCHEMBL28002666 | 0.82 | — | — | |
| SCHEMBL10870018 | 0.73 | — | — | |
| SCHEMBL27858246 | 0.73 | — | — | |
| SCHEMBL20550092 | 0.73 | — | — | |
| SCHEMBL27723589 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1803700-A2 | Method for the dehydrogenation of diisopropyl benezene | Mitsui Chemicals, Inc. (JP) | 2007-07-04 | — | — | EP | disclosed |
| CN-1243702-C | Method of dehydrogenating triisopropylbenzene and diisopropylbenzene | MITSUI CHEMICALS INC (JP) | 2006-03-01 | — | — | CN | disclosed |
| US-6743959-B1 | CHROMIUM FREE CATALYTIC SYNTHESIS OF UNSATURATED CHEMICAL INTERMEDIATES | MITSUI CHEMICALS, INC. (JP) | 2004-06-01 | — | — | US | disclosed |
| CN-1382112-A | Process for the dehydrogenation of triisopropylbenzene and diisopropylbenzene | MITSUI CHEMICALS INC (JP) | 2002-11-27 | — | — | CN | disclosed |
| EP-1219582-A1 | METHOD OF DEHYDROGENATING TRIISOPROPYLBENZENE AND DIISOPROPYLBENZENE | Mitsui Chemicals, Inc. (JP) | 2002-07-03 | — | — | EP | disclosed |