⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8110002 | 0.72 | — | — | |
| SCHEMBL6100849 | 0.72 | — | — | |
| SCHEMBL21767 | 0.72 | — | — | |
| SCHEMBL16316014 | 0.70 | TSHR (0.58) | — | |
| SCHEMBL13074412 | 0.70 | TSHR (0.58) | — | |
| SCHEMBL12809719 | 0.70 | TSHR (0.58) | — | |
| SCHEMBL13399686 | 0.70 | TSHR (0.58) | — | |
| SCHEMBL16316012 | 0.70 | TSHR (0.58) | — | |
| SCHEMBL1226598 | 0.70 | TSHR (0.58) | — | |
| SCHEMBL764361 | 0.70 | TSHR (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9732046-B2 | Substituted 1,2,4-triazines as tubulin inhibitors | YM BIOSCIENCES AUSTRALIA PTY LTD. (US) | 2017-08-15 | — | — | US | disclosed |
| US-20160031835-A1 | TUBULIN INHIBITORS | YM BIOSCIENCES AUSTRALIA PTY LTD. | 2016-02-04 | — | — | US | disclosed |
| US-9139560-B2 | Substituted pyrazines as tubulin inhibitors | YM BIOSCIENCES AUSTRALIA PTY LTD. (US) | 2015-09-22 | — | — | US | disclosed |
| US-20140221396-A1 | TUBULIN INHIBITORS | YM BIOSCIENCES AUSTRALIA PTY LTD. (US) | 2014-08-07 | — | — | US | disclosed |
| WO-2014081756-A1 | S1P AND/OR ATX MODULATING AGENTS | BIOGEN IDEC MA INC. (US) | 2014-05-30 | — | — | WO | disclosed |
| US-8394806-B2 | 2-phenyl pyrazines as tubulin inhibitors | YM BIOSCIENCES AUSTRALIA PTY LTD (AU) | 2013-03-12 | — | — | US | disclosed |
| US-20120070409-A1 | TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-03-22 | — | — | US | disclosed |
| EP-1953148-B1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2012-02-29 | — | — | EP | disclosed |
| US-20120020920-A1 | 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-01-26 | — | — | US | disclosed |
| US-20110269760-A1 | TUBULIN INHIBITORS | CYTOPIA RESEARCH PTY LTD (AU) | 2011-11-03 | — | — | US | disclosed |
| US-7977331-B1 | Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2011-07-12 | — | — | US | disclosed |