⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12243171 | 0.72 | — | — | |
| SCHEMBL14257976 | 0.70 | — | — | |
| SCHEMBL8324006 | 0.68 | — | — | |
| SCHEMBL19523554 | 0.65 | — | — | |
| SCHEMBL209495 | 0.62 | — | — | |
| SCHEMBL12360476 | 0.60 | RAB9A (0.43) | — | |
| SCHEMBL14617016 | 0.56 | — | — | |
| SCHEMBL8271652 | 0.56 | — | — | |
| SCHEMBL761717 | 0.56 | — | — | |
| SCHEMBL576217 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9801851-B2 | Methods and compositions for the treatment of BCR-ABL positive lymphoblastic leukemias | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2017-10-31 | — | — | US | disclosed |
| US-20150133462-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF BCR-ABL POSITIVE LYMPHOBLASTIC LEUKEMIAS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2015-05-14 | — | — | US | disclosed |
| US-20120070409-A1 | TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-03-22 | — | — | US | disclosed |
| US-20120020920-A1 | 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-01-26 | — | — | US | disclosed |
| US-7977331-B1 | Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2011-07-12 | — | — | US | disclosed |
| US-7285551-B2 | Fused-ring compounds and use thereof as drugs | JAPAN TOBACCO INC. (JP) | 2007-10-23 | — | — | US | disclosed |
| US-20070032497-A1 | Fused-ring compounds and use thereof as drugs | JAPAN TOBACCO INC. (JP) | 2007-02-08 | — | — | US | disclosed |