⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL20490082 | 0.61 | TSHR (0.50) | — | |
| Isobutane SCHEMBL1022735 | 0.61 | — | — | |
| Isobutane SCHEMBL30536981 | 0.61 | — | — | |
| Isobutane SCHEMBL768 | 0.61 | — | — | |
| Isobutane SCHEMBL7754023 | 0.61 | TSHR (0.50) | — | |
| Isobutane SCHEMBL11313074 | 0.61 | TSHR (0.50) | — | |
| Isobutane SCHEMBL2162423 | 0.61 | — | — | |
| SCHEMBL29372284 | 0.61 | — | — | |
| Isobutane SCHEMBL23045674 | 0.55 | — | — | |
| SCHEMBL3836952 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7728139-B2 | Solvent-free process for the preparation of diketopyrrolopyrrole derivatives | MCA TECHNOLOGIES GMBH (CH) | 2010-06-01 | — | — | US | disclosed |
| EP-1375428-B1 | Methods for producing titanium oxide sol and fine titanium oxide particles for use in photoelectric conversion devices | FUJIFILM CORP (JP) | 2008-11-12 | — | — | EP | disclosed |
| US-20060246023-A1 | for use as latent pigments; photocopiers | MCA TECHNOLOGIES GMBH (CH) | 2006-11-02 | — | — | US | disclosed |
| EP-0357787-B1 | PROCESS FOR PREPARING OPTICALLY ACTIVE 2-HYDROXY ACID DERIVATIVES | DAICEL CHEM (JP) | 1996-05-08 | — | — | EP | disclosed |
| EP-0394448-B1 | PROCESS FOR PREPARING OPTICALLY ACTIVE 2-HYDROXY-4-PHENYLBUTYRIC ACIDS | DAICEL CHEM (JP) | 1996-05-01 | — | — | EP | disclosed |
| US-5371014-A | Process for the production of optically active 2-hydroxy acid esters using microbes to reduce the 2-oxo precursor | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-06 | — | — | US | disclosed |
| US-5256552-A | Reduction of 2-oxo-4-phenylbutyric acid with microorganism | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-26 | — | — | US | disclosed |
| EP-0394448-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE 2-HYDROXY-4-PHENYLBUTYRIC ACIDS | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1990-10-31 | — | — | EP | disclosed |
| EP-0357787-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE 2-HYDROXY ACID DERIVATIVES | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1990-03-14 | — | — | EP | disclosed |