⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9614630 | 0.70 | — | — | |
| SCHEMBL416342 | 0.70 | — | — | |
| SCHEMBL3214503 | 0.69 | PARP1 (0.30) | — | |
| SCHEMBL957089 | 0.65 | — | — | |
| SCHEMBL2538587 | 0.63 | — | — | |
| SCHEMBL2540174 | 0.61 | — | — | |
| SCHEMBL2536299 | 0.61 | HCAR1 (0.35) | — | |
| SCHEMBL315610 | 0.60 | GSK3A (0.44) | — | |
| SCHEMBL4840308 | 0.56 | — | — | |
| SCHEMBL7897568 | 0.56 | TYR (0.40) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170306157-A1 | Modified Colorants and Inkjet Ink Compositions Comprising Modified Colorants | CABOT CORP (US) | 2017-10-26 | — | — | US | disclosed |
| US-9732227-B2 | Modified colorants and inkjet ink compositions comprising modified colorants | CABOT CORPORATION (US) | 2017-08-15 | — | — | US | disclosed |
| EP-3040382-A1 | MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS | Cabot Corporation (US) | 2016-07-06 | — | — | EP | disclosed |
| US-20160075880-A1 | Modified Colorants and Inkjet Ink Compositions Comprising Modified Colorants | CABOT CORPORATION | 2016-03-17 | — | — | US | disclosed |
| US-8858695-B2 | Modified colorants and inkjet ink compositions comprising modified colorants | CABOT CORPORATION (US) | 2014-10-14 | — | — | US | disclosed |
| EP-2431426-A1 | Modified colorants and inkjet ink compositions comprising modified colorants | Cabot Corporation (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-2431427-A1 | Modified colorants and inkjet ink compositions comprising modified colorants | Cabot Corporation (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-2431425-A1 | Modified colorants and inkjet ink compositions comprising modified colorants | Cabot Corporation (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1951821-A2 | MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS | Cabot Corporation (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007053564-A2 | MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS | CABOT CORPORATION (US) | 2007-05-10 | — | — | WO | disclosed |
| US-20070100024-A1 | Modified colorants and inkjet ink compositions comprising modified colorants | CABOT CORPORATION | 2007-05-03 | — | — | US | disclosed |
| US-5216138-A | With vinyl sulfonyl group | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-06-01 | — | — | US | disclosed |