⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5789731 | 0.82 | — | — | |
| SCHEMBL14269298 | 0.60 | CA1 (0.53) | — | |
| SCHEMBL1105492 | 0.53 | — | — | |
| SCHEMBL4100806 | 0.53 | — | — | |
| SCHEMBL7864425 | 0.52 | POLB (0.56) | — | |
| SCHEMBL883856 | 0.51 | — | — | |
| Hydrochloric Acid SCHEMBL28105943 | 0.51 | — | — | |
| SCHEMBL19891701 | 0.49 | — | — | |
| SCHEMBL14645462 | 0.48 | — | — | |
| SCHEMBL3077769 | 0.48 | HDAC6 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110201665-A1 | Compositions, Methods, and Kits for Treating Influenza Viral Infections | COMBINATORX (SINGAPORE) PTE. LTD. (SG) | 2011-08-18 | — | — | US | disclosed |
| US-20110028510-A1 | Compositions, Methods, and Kits for Treating Influenza Viral Infections | COMBINATORX (SINGAPORE) PTE. LTD. (SG) | 2011-02-03 | — | — | US | disclosed |
| US-20100009934-A1 | BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2010-01-14 | — | — | US | disclosed |
| US-20090053168-A1 | TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS | ZALICUS INC. | 2009-02-26 | — | — | US | disclosed |
| US-20090047243-A1 | COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS | ZALICUS INC. | 2009-02-19 | — | — | US | disclosed |