⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27490992 | 0.87 | HTR7 (0.30) | — | |
| SCHEMBL27511315 | 0.87 | HTR2A (0.30) | — | |
| SCHEMBL7599686 | 0.84 | GABRA1 (0.33) | — | |
| SCHEMBL5721817 | 0.82 | HEXA (0.35) | — | |
| SCHEMBL8402024 | 0.81 | — | — | |
| SCHEMBL27524732 | 0.81 | CRHR1 (0.32) | — | |
| SCHEMBL7084090 | 0.80 | ADORA3 (0.30) | — | |
| SCHEMBL27510585 | 0.80 | — | — | |
| SCHEMBL27490274 | 0.80 | S1PR4 (0.30) | — | |
| SCHEMBL4946930 | 0.80 | MEN1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020013217-A1 | CATALYST FOR THE POLYMERIZATION OF OLEFINS, PROCESS FOR ITS PREPARATION AND ITS USE | HANS-FRIEDRICH HERRMANN | 2002-01-31 | — | — | US | disclosed |