⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15919051 | 0.79 | — | — | |
| SCHEMBL21526262 | 0.78 | — | — | |
| SCHEMBL13971139 | 0.78 | — | — | |
| SCHEMBL2645938 | 0.78 | — | — | |
| SCHEMBL3932430 | 0.76 | — | — | |
| SCHEMBL9410982 | 0.76 | — | — | |
| SCHEMBL11448673 | 0.76 | ALDH1A1 (0.50) | — | |
| Methyl Isobutyl Ketone SCHEMBL8205313 | 0.74 | ALDH1A1 (0.82) | — | |
| SCHEMBL1786271 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL1786269 | 0.72 | ALDH1A1 (0.46) | — |
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-0831809-A4 | METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS | SUGEN INC (US) | 2001-11-28 | — | — | EP | disclosed |
| US-6090838-A | USING 2,5-BISINDOL-3-YL-1,4-QUINONE | SUGEN, INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5780496-A | Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions | SUGEN, INC. (US) | 1998-07-14 | — | — | US | disclosed |
| EP-0831809-A1 | METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS | Sugen, Inc. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040115-A1 | METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS | SUGEN, INC. (US) | 1996-12-19 | — | — | WO | disclosed |