⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5652011 | 1.00 | — | — | |
| SCHEMBL6050553 | 0.78 | — | — | |
| SCHEMBL6050555 | 0.78 | — | — | |
| SCHEMBL536080 | 0.77 | — | — | |
| SCHEMBL995320 | 0.76 | CYP1A2 (0.38) | — | |
| SCHEMBL1639903 | 0.73 | — | — | |
| SCHEMBL11534803 | 0.69 | — | — | |
| SCHEMBL9876046 | 0.69 | POLB (0.41) | — | |
| Propionic Acid SCHEMBL2212326 | 0.69 | RAB9A (0.34) | — | |
| SCHEMBL14738349 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7223794-B2 | Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase | ASTRAZENECA AB (SE) | 2007-05-29 | — | — | US | disclosed |
| EP-1572068-A2 | ARYLHETEROALKALYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | AstraZeneca AB (SE) | 2005-09-14 | — | — | EP | disclosed |
| US-20050143379-A1 | Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase | ASTRAZENECA AB (SE) | 2005-06-30 | — | — | US | disclosed |
| WO-2003011210-A2 | ARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2003-02-13 | — | — | WO | disclosed |