⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1649228 | 1.00 | — | — | |
| SCHEMBL629756 | 1.00 | — | — | |
| SCHEMBL8908223 | 0.80 | — | — | |
| SCHEMBL27772884 | 0.79 | PGD (0.34) | — | |
| SCHEMBL628746 | 0.78 | — | — | |
| SCHEMBL5489184 | 0.78 | — | — | |
| SCHEMBL8391957 | 0.78 | — | — | |
| SCHEMBL6399701 | 0.76 | — | — | |
| SCHEMBL27383827 | 0.76 | — | — | |
| SCHEMBL5129987 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101611018-A | Heterocyclic sulfonamide with Edg-I antagonistic activity | ASTRAZENECA AB (SE) | 2009-12-23 | — | — | CN | disclosed |
| US-5683989-A | TREATMENT OF CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS | NOVO NORDISK A/S (DK) | 1997-11-04 | — | — | US | disclosed |
| US-5484774-A | 2, N6 -disubstituted adenosines, tri-O-ester derivatives and their pharmaceutical compositions to treat ischemias | NOVO NORDISK A/S (DK) | 1996-01-16 | — | — | US | disclosed |