⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL914052 | 0.75 | ELANE (0.42) | — | |
| SCHEMBL913955 | 0.74 | ELANE (0.44) | — | |
| SCHEMBL6423951 | 0.74 | HTR2C (0.32) | — | |
| SCHEMBL6031390 | 0.72 | ROCK2 (0.30) | — | |
| SCHEMBL27516140 | 0.63 | PDE10A (0.31) | — | |
| SCHEMBL11401370 | 0.63 | ALOX5 (0.38) | — | |
| SCHEMBL24527382 | 0.60 | KDM4E (0.40) | — | |
| SCHEMBL28290847 | 0.60 | ADRB2 (0.53) | — | |
| SCHEMBL24565412 | 0.59 | GAA (0.43) | — | |
| SCHEMBL2045230 | 0.58 | ALOX5 (0.50) | — |
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 |