⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL60727 | 1.00 | — | — | |
| SCHEMBL9420958 | 1.00 | ALDH1A1 (0.53) | — | |
| SCHEMBL14498560 | 1.00 | — | — | |
| SCHEMBL11627934 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1839190 | 0.96 | — | — | |
| SCHEMBL29415522 | 0.96 | — | — | |
| Putrescine SCHEMBL10868083 | 0.90 | OPRM1 (0.46) | — | |
| Bicarbonate SCHEMBL3387529 | 0.85 | GABRP (0.56) | — | |
| Sulfuric Acid SCHEMBL10353223 | 0.83 | TP53 (0.58) | — | |
| SCHEMBL22022653 | 0.83 | ALDH1A1 (0.38) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108290879-A | Heteroaryl compound and application thereof as IRAK inhibitor | 默克专利有限公司 | 2018-07-17 | — | — | CN | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |
| US-20130059834-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. | 2013-03-07 | — | — | US | disclosed |
| WO-2011014973-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |
| US-7166436-B2 | Differential labeling for quantitative analysis of complex protein mixtures | SYNGENTA PARTICIPATIONS, AG (CH) | 2007-01-23 | — | — | US | disclosed |
| EP-1127889-B1 | Chiral molecular magnet and manufacturing method of the same | NAT INST NATURAL SCIENCES (JP) | 2004-10-20 | — | — | EP | disclosed |
| US-6355820-B1 | MONOCRYSTAL MAGNET POURING SOLUTIONS OF DIAMINE, MANGANATE SALT, DEAERATION SOLVENT, HEXACYANOCHROMATE SALT AND PRECIPITATION OF MANGANESE, HEXACYANO CHROMIUM WITH DIAMINO LIGAND | OKAZAKI NATIONAL RESEARCH INSTITUTES (JP) | 2002-03-12 | — | — | US | disclosed |
| EP-1127889-A2 | Chiral molecular magnet and manufacturing method of the same | Okazaki National Research Institutes (JP) | 2001-08-29 | — | — | EP | disclosed |