⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17898138 | 1.00 | — | — | |
| SCHEMBL22239183 | 0.82 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL23102141 | 0.82 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL21359152 | 0.82 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL14102105 | 0.81 | GAA (0.42) | — | |
| SCHEMBL23418589 | 0.81 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10130074 | 0.78 | — | — | |
| SCHEMBL8173649 | 0.78 | — | — | |
| SCHEMBL12163326 | 0.78 | ADRB2 (0.40) | — | |
| SCHEMBL15481502 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016174079-A1 | RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS | JANSSEN SCIENCES IRELAND UC (IE) | 2016-11-03 | — | — | WO | disclosed |
| WO-2014025708-A1 | COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS | BIOGEN IDEC MA INC. (US) | 2014-02-13 | — | — | WO | disclosed |
| EP-2471363-A1 | Use of aryl-, heteroaryl- and benzylsulfonamide carboxylic acids, -carboxylic acid esters, -carboxylic acid amides and -carbonitriles and/or its salts for increasing stress tolerance in plants | Bayer CropScience AG (DE) | 2012-07-04 | — | — | EP | disclosed |
| EP-1604647-B1 | Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof | CHISSO CORP (JP) | 2008-05-07 | — | — | EP | disclosed |
| US-4665087-A | ANGIOTENSIN-CONVERTING ENZYME INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1987-05-12 | — | — | US | disclosed |
| US-4532031-A | Using frother compound having sulfide and ester groups | AMERICAN CYANAMID COMPANY (US) | 1985-07-30 | — | — | US | disclosed |
| US-4394257-A | Froth flotation process | AMERICAN CYANAMID COMPANY (US) | 1983-07-19 | — | — | US | disclosed |
| US-4025550-A | Derivatives of triiodo-aminobenzenecarboxylic acids and the preparation thereof | CHEMIE LINZ AKTIENGESELLSCHAFT (OE) | 1977-05-24 | — | — | US | disclosed |