⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2878674 | 0.69 | — | — | |
| SCHEMBL1527776 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL26117444 | 0.67 | — | — | |
| SCHEMBL4434636 | 0.67 | — | — | |
| SCHEMBL8429172 | 0.67 | — | — | |
| SCHEMBL3427488 | 0.67 | — | — | |
| Ethanesulfonic Acid Amide SCHEMBL28038 | 0.65 | — | — | |
| SCHEMBL3905995 | 0.65 | — | — | |
| SCHEMBL20917390 | 0.65 | — | — | |
| SCHEMBL8515751 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017186148-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS | ASTAR BIOTECH LLC (US) | 2017-11-02 | — | — | WO | disclosed |
| US-9493484-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-11-15 | — | — | US | disclosed |
| US-20150051197-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-02-19 | — | — | US | disclosed |
| US-7745459-B2 | Quinolizinone compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2010-06-29 | — | — | US | disclosed |
| US-20060084665-A1 | Quinolizinone compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2006-04-20 | — | — | US | disclosed |