⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28861464 | 0.71 | — | — | |
| SCHEMBL27639619 | 0.71 | HPGD (0.41) | — | |
| SCHEMBL9451867 | 0.71 | GRIN2D (0.37) | — | |
| SCHEMBL28885371 | 0.70 | HCAR2 (0.42) | — | |
| SCHEMBL3456837 | 0.67 | — | — | |
| SCHEMBL5118245 | 0.67 | — | — | |
| SCHEMBL15374805 | 0.66 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL1503 | 0.66 | — | — | |
| SCHEMBL30802139 | 0.64 | — | — | |
| SCHEMBL28852463 | 0.64 | HCAR2 (0.44) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4060617-A | Esters of the ophyllinylacetic acid | Wulfing, Johann A. (DT) | 1977-11-29 | — | — | US | claimed |
| US-8273741-B2 | Imidazo-pyridazinyl compounds and uses thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-09-25 | — | — | US | disclosed |
| US-8044049-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-25 | — | — | US | disclosed |
| US-8034812-B2 | Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-11 | — | — | US | disclosed |
| US-20100273788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-10-28 | — | — | US | disclosed |
| US-20100168424-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-01 | — | — | US | disclosed |
| US-20090306374-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20090137595-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-2049541-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008016192-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |
| EP-1817287-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | Eli Lilly and Company (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006057845-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-06-01 | — | — | WO | disclosed |
| CN-1723199-A | 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors | ASTRAZENECA AB (SE) | 2006-01-18 | — | — | CN | disclosed |
| US-4060617-A | Esters of the ophyllinylacetic acid | Wulfing, Johann A. (DT) | 1977-11-29 | — | — | US | disclosed |
| US-4060617-A | Esters of the ophyllinylacetic acid | Wulfing, Johann A. (DT) | 1977-11-29 | — | — | US | disclosed |