⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL210337 | 0.70 | — | — | |
| SCHEMBL31741329 | 0.58 | — | — | |
| SCHEMBL9559362 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL27681770 | 0.51 | — | — | |
| SCHEMBL93489 | 0.49 | — | — | |
| SCHEMBL14619263 | 0.48 | — | — | |
| Bromide SCHEMBL21804716 | 0.47 | — | — | |
| Hydrochloric Acid SCHEMBL4832902 | 0.47 | — | — | |
| Benzene SCHEMBL11037142 | 0.44 | ITGB2 (0.40) | — | |
| SCHEMBL2404097 | 0.43 | — | — |
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-7872052-B2 | Use of heterocyclic compounds as SCCE inhibitors | AREXIS AB (SE) | 2011-01-18 | — | — | US | disclosed |
| US-20060258651-A1 | Use of heterocyclic compounds as scce inhibitors | QUANTUM LTO HOLDINGS, LLC | 2006-11-16 | — | — | US | disclosed |