⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3728243 | 0.82 | DPP4 (0.31) | — | |
| SCHEMBL9334241 | 0.73 | — | — | |
| SCHEMBL29683349 | 0.68 | — | — | |
| SCHEMBL19814980 | 0.66 | PARP1 (0.39) | — | |
| SCHEMBL1118054 | 0.64 | — | — | |
| SCHEMBL6841570 | 0.59 | HSD17B10 (0.31) | — | |
| SCHEMBL16609986 | 0.59 | — | — | |
| SCHEMBL1766245 | 0.59 | — | — | |
| SCHEMBL6802896 | 0.58 | — | — | |
| SCHEMBL7013999 | 0.58 | — | — |
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-2201071-B1 | REACTIVE DYES, PROCESSES FOR THEIR PREPARATION AND THEIR USE | HUNTSMAN ADV MAT SWITZERLAND (CH) | 2012-01-18 | — | — | EP | disclosed |
| US-7905928-B2 | Reactive dyes, processes for their preparation and their use | HUNTSMAN INTERNATIONAL LLC (US) | 2011-03-15 | — | — | US | disclosed |
| US-20100251490-A1 | REACTIVE DYES, PROCESSES FOR THEIR PREPARATION AND THEIR USE | HUNTSMAN INTERNATIONAL LLC (US) | 2010-10-07 | — | — | US | disclosed |
| EP-2201071-A2 | REACTIVE DYES, PROCESSES FOR THEIR PREPARATION AND THEIR USE | Huntsman Advanced Materials (Switzerland) GmbH (CH) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009053238-A2 | REACTIVE DYES, PROCESSES FOR THEIR PREPARATION AND THEIR USE | HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) | 2009-04-30 | — | — | WO | disclosed |