⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14907287 | 0.54 | — | — | |
| SCHEMBL10506619 | 0.54 | — | — | |
| SCHEMBL15359623 | 0.48 | — | — | |
| SCHEMBL25150027 | 0.47 | — | — | |
| SCHEMBL487087 | 0.42 | KDM4E (0.35) | — | |
| SCHEMBL25139347 | 0.39 | — | — | |
| SCHEMBL2379897 | 0.39 | — | — | |
| SCHEMBL282506 | 0.39 | — | — | |
| SCHEMBL369355 | 0.36 | — | — | |
| SCHEMBL10985269 | 0.36 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9321804-B2 | Synthesis and use of anti-tumor drug LQC-Y | 3D MEDICINES, LTD. (CN) | 2016-04-26 | — | — | US | claimed |
| US-8987449-B2 | Medicine for treating ischemic brain injury and its sequelae, and preparation method thereof | HAIMIN LEI (CN) | 2015-03-24 | — | — | US | claimed |
| US-20140011813-A1 | Medicine for Treating Ischemic Brain Injury and its Sequelae, and Preparation Method Thereof | HAIMIN LEI (CN) | 2014-01-09 | — | — | US | claimed |
| US-20140011786-A1 | SYNTHESIS AND USE OF ANTI-TUMOR DRUG LQC-Y | 3D MEDICINES, LTD. (CN) | 2014-01-09 | — | — | US | claimed |
| US-9321804-B2 | Synthesis and use of anti-tumor drug LQC-Y | 3D MEDICINES, LTD. (CN) | 2016-04-26 | — | — | US | disclosed |
| US-8987449-B2 | Medicine for treating ischemic brain injury and its sequelae, and preparation method thereof | HAIMIN LEI (CN) | 2015-03-24 | — | — | US | disclosed |
| US-20140011813-A1 | Medicine for Treating Ischemic Brain Injury and its Sequelae, and Preparation Method Thereof | HAIMIN LEI (CN) | 2014-01-09 | — | — | US | disclosed |
| US-20140011786-A1 | SYNTHESIS AND USE OF ANTI-TUMOR DRUG LQC-Y | 3D MEDICINES, LTD. (CN) | 2014-01-09 | — | — | US | disclosed |