⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16411361 | 0.81 | — | — | |
| SCHEMBL15663315 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL17479390 | 0.70 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL7622518 | 0.69 | — | — | |
| SCHEMBL5175283 | 0.68 | ALOX5 (0.31) | — | |
| SCHEMBL9508413 | 0.68 | — | — | |
| SCHEMBL3682619 | 0.68 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8460541 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL2873717 | 0.67 | — | — | |
| SCHEMBL7542664 | 0.67 | GPR3 (0.33) | — |
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-6255508-B1 | COORDINATION CATALYST; ALPHA-OLEFIN POLYMERIZATION CATALYST | TARGOR GMBH (DE) | 2001-07-03 | — | — | US | disclosed |