⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24103155 | 1.00 | — | — | |
| SCHEMBL18517325 | 0.74 | BACE1 (0.32) | — | |
| SCHEMBL35483 | 0.72 | — | — | |
| SCHEMBL31545103 | 0.72 | — | — | |
| SCHEMBL10622106 | 0.72 | — | — | |
| SCHEMBL2879186 | 0.72 | CES2 (0.40) | — | |
| SCHEMBL21646387 | 0.70 | — | — | |
| SCHEMBL21646375 | 0.70 | — | — | |
| SCHEMBL21646389 | 0.70 | — | — | |
| SCHEMBL21646357 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009058377-A1 | LIGANDS SPECIFIC FOR CANNABINOID RECEPTOR SUBTYPE 2 | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2009-05-07 | — | — | WO | disclosed |
| WO-2009036035-A1 | BCL-2 INHIBITORS | CURIS, INC. (US) | 2009-03-19 | — | — | WO | disclosed |