⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7094563 | 0.79 | ADRA2A (0.47) | — | |
| SCHEMBL8143712 | 0.77 | — | — | |
| SCHEMBL9505880 | 0.77 | APOBEC3A (0.39) | — | |
| SCHEMBL2988656 | 0.76 | — | — | |
| SCHEMBL11297570 | 0.75 | ADRA2A (0.34) | — | |
| Iodide SCHEMBL11167054 | 0.74 | — | — | |
| SCHEMBL3469069 | 0.72 | TAAR1 (0.34) | — | |
| SCHEMBL3281539 | 0.70 | — | — | |
| Sulfuric Acid SCHEMBL9290874 | 0.70 | RAD52 (0.40) | — | |
| SCHEMBL17472382 | 0.66 | ADRA2A (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7314874-B2 | N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-01-01 | — | — | US | disclosed |
| US-7314874-B2 | N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-01-01 | — | — | US | disclosed |