⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL455839 | 1.00 | — | — | |
| SCHEMBL18541817 | 1.00 | — | — | |
| SCHEMBL1145453 | 0.92 | — | — | |
| SCHEMBL1189847 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL2002222 | 0.77 | EPHX1 (0.42) | — | |
| SCHEMBL6467984 | 0.74 | — | — | |
| SCHEMBL18541731 | 0.72 | — | — | |
| SCHEMBL1145870 | 0.72 | — | — | |
| SCHEMBL11614918 | 0.72 | — | — | |
| SCHEMBL1863409 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017030684-A1 | DEHYDRATIVE CYCLIZATION OF PENTITOLS USING WATER-TOLERANT LEWIS ACID CATALYSTS UNDER MILD CONDITIONS AND DERIVATIVES | ARCHER DANIELS MIDLAND COMPANY (US) | 2017-02-23 | — | — | WO | disclosed |
| US-9255100-B2 | Substituted imidazopyridazines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-02-09 | — | — | US | disclosed |
| EP-2614063-B1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER IP GMBH (DE) | 2016-01-13 | — | — | EP | disclosed |
| EP-1497019-B1 | PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-05-20 | — | — | EP | disclosed |
| US-20130338133-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-12-19 | — | — | US | disclosed |
| EP-2614063-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | Bayer Intellectual Property GmbH (DE) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012032031-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-15 | — | — | WO | disclosed |