⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9070693 | 0.79 | — | — | |
| SCHEMBL14993142 | 0.78 | BRS3 (0.31) | — | |
| SCHEMBL3398343 | 0.71 | — | — | |
| SCHEMBL24690676 | 0.71 | — | — | |
| SCHEMBL889370 | 0.69 | — | — | |
| SCHEMBL12777838 | 0.69 | — | — | |
| SCHEMBL9055149 | 0.67 | — | — | |
| SCHEMBL3445980 | 0.67 | — | — | |
| SCHEMBL13052871 | 0.67 | — | — | |
| SCHEMBL11927758 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120238593-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2012-09-20 | — | — | US | disclosed |
| US-8242271-B2 | Heterocyclic compounds and uses thereof | AVILA THERAPEUTICS, INC. (US) | 2012-08-14 | — | — | US | disclosed |
| US-20080300268-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2008-12-04 | — | — | US | disclosed |