⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4758650 | 0.92 | NPC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7636691 | 0.90 | NPC1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL9163870 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL7642438 | 0.81 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL9169522 | 0.80 | — | — | |
| SCHEMBL9230712 | 0.74 | CHRNB2 (0.30) | — | |
| SCHEMBL1453064 | 0.73 | PGR (0.37) | — | |
| Hydrochloric Acid SCHEMBL9166049 | 0.72 | — | — | |
| SCHEMBL6693821 | 0.71 | NPC1 (0.31) | — | |
| SCHEMBL7070964 | 0.71 | NPC1 (0.30) | — |
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-20030017939-A1 | Catalyst system for the polymerization of olefins | OKUMURA YOSHIKUNI (DE) | 2003-01-23 | — | — | US | disclosed |