⚠ 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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL175952 | 0.87 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL11800894 | 0.87 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL969 | 0.87 | — | — | |
| Isobutanol SCHEMBL17825896 | 0.83 | — | — | |
| Isobutanol SCHEMBL29794999 | 0.83 | TSHR (0.75) | — | |
| Isobutanol SCHEMBL10623061 | 0.83 | TSHR (0.75) | — | |
| Isobutanol SCHEMBL8187653 | 0.83 | — | — | |
| Isobutanol SCHEMBL23887407 | 0.82 | — | — | |
| Isobutanol SCHEMBL2277484 | 0.82 | — | — | |
| Isobutanol SCHEMBL9759733 | 0.82 | TSHR (0.90) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2107082-B1 | AQUEOUS THERMOSETTING COMPOSITION | MITSUI CHEMICALS INC (JP) | 2015-10-21 | — | — | EP | disclosed |
| US-9120924-B2 | Aqueous thermosetting composition | MITSUI CHEMICALS, INC. (JP) | 2015-09-01 | — | — | US | disclosed |
| CN-104789512-A | Isoprene producing bacterial and isoprene producing method | UNIV TSINGHUA | 2015-07-22 | — | — | CN | disclosed |
| CN-101541886-B | Aqueous thermosetting composition | MITSUI CHEMICALS INC | 2011-09-21 | — | — | CN | disclosed |
| US-20100056701-A1 | AQUEOUS THERMOSETTING COMPOSITION | MITSUI CHEMICALS, INC. | 2010-03-04 | — | — | US | disclosed |
| EP-2107082-A1 | AQUEOUS THERMOSETTING COMPOSITION | Mitsui Chemicals, Inc. (JP) | 2009-10-07 | — | — | EP | disclosed |
| CN-101541886-A | Aqueous thermosetting composition | MITSUI CHEMICALS INC (JP) | 2009-09-23 | — | — | CN | disclosed |