⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18922321 | 1.00 | — | — | |
| Water SCHEMBL28987045 | 0.98 | — | — | |
| SCHEMBL2302961 | 0.72 | — | — | |
| SCHEMBL12477 | 0.72 | — | — | |
| SCHEMBL7920447 | 0.72 | — | — | |
| SCHEMBL11895879 | 0.72 | — | — | |
| SCHEMBL28176941 | 0.72 | — | — | |
| SCHEMBL30054314 | 0.72 | KMT2A (0.33) | — | |
| SCHEMBL4650479 | 0.71 | — | — | |
| SCHEMBL13309990 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109234836-A | A kind of poly- polysaccharide composite fiber of homogeneous and preparation method thereof | 浙江理工大学 | 2019-01-18 | — | — | CN | disclosed |
| US-8106057-B2 | Dihydroxyphenyl isoindolylmethanones | ASTEX THERAPEUTICS, LTD. (GB) | 2012-01-31 | — | — | US | disclosed |
| US-20100286167-A1 | DIHYDROXYPHENYL ISOINDOLYLMETHANONES | ASTEX THERAPEUTICS LTD. (GB) | 2010-11-11 | — | — | US | disclosed |
| US-7754725-B2 | Dihydroxyphenyl isoindolymethanones | ASTEX THERAPEUTICS LTD. (GB) | 2010-07-13 | — | — | US | disclosed |
| EP-1968603-A2 | THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS | Algebra Inc. (US) | 2008-09-17 | — | — | EP | disclosed |
| US-20070259886-A1 | (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma | ASTEX THERAPEUTICS, LTD. (GB) | 2007-11-08 | — | — | US | disclosed |
| WO-2007079470-A2 | THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS | ALGEBRA, INC. (US) | 2007-07-12 | — | — | WO | disclosed |