⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4896875 | 0.67 | ACVR1 (0.61) | — | |
| SCHEMBL3956606 | 0.64 | — | — | |
| SCHEMBL633960 | 0.63 | GSK3B (0.48) | — | |
| SCHEMBL11553132 | 0.60 | CSNK1G1 (0.40) | — | |
| SCHEMBL11531554 | 0.60 | CES1 (0.48) | — | |
| SCHEMBL11552487 | 0.60 | TTR (0.43) | — | |
| SCHEMBL11634099 | 0.60 | CHEK1 (0.62) | — | |
| SCHEMBL11535564 | 0.60 | LRRK2 (0.40) | — | |
| SCHEMBL17539384 | 0.59 | — | — | |
| SCHEMBL7775803 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009064848-A1 | 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2009-05-22 | — | — | WO | disclosed |