⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12131751 | 0.84 | USP2 (0.55) | — | |
| SCHEMBL11027129 | 0.81 | — | — | |
| SCHEMBL11351376 | 0.81 | — | — | |
| SCHEMBL18573847 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL11456822 | 0.79 | — | — | |
| SCHEMBL861034 | 0.79 | KMT2A (0.57) | — | |
| SCHEMBL22917014 | 0.79 | KMT2A (0.57) | — | |
| SCHEMBL14214771 | 0.78 | ALDH1A1 (0.58) | — | |
| SCHEMBL23188735 | 0.77 | ALDH1A1 (0.58) | — | |
| SCHEMBL100593 | 0.77 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170022149-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | Nguyen, Mark Quang (US) | 2017-01-26 | — | — | US | disclosed |
| US-8728442-B2 | Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides | BAYER CROPSCIENCE LP (US) | 2014-05-20 | — | — | US | disclosed |
| US-8524906-B2 | Tetrahydrothiazolopyridine inhibitors of phosphatidylinositol 3-kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-03 | — | — | US | disclosed |
| US-20120058058-A1 | COMPOUNDS DERIVED FROM MUSCODOR FUNGI | AGRAQUEST, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20120039849-A1 | TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| US-20100105683-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | KEEGAN KATHLEEN S | 2010-04-29 | — | — | US | disclosed |
| US-20100105683-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | KEEGAN KATHLEEN S | 2010-04-29 | — | — | US | disclosed |
| US-7608618-B2 | Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 | ICOS CORPORATION (US) | 2009-10-27 | — | — | US | disclosed |
| US-7608618-B2 | Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 | ICOS CORPORATION (US) | 2009-10-27 | — | — | US | disclosed |