⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7598103 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL7939383 | 0.80 | — | — | |
| SCHEMBL28310710 | 0.78 | — | — | |
| SCHEMBL7719822 | 0.74 | — | — | |
| SCHEMBL29697103 | 0.74 | HTR2A (0.38) | — | |
| SCHEMBL3685967 | 0.74 | HTR2A (0.38) | — | |
| Ethane SCHEMBL8635840 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL30074160 | 0.72 | HTR2A (0.37) | — | |
| Hydrochloric Acid SCHEMBL4457343 | 0.72 | KDM4E (0.40) | — | |
| SCHEMBL8033490 | 0.72 | — | — |
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-6255531-B1 | POLYMERIZATION CATALYSTS | TARGOR GMBH (DE) | 2001-07-03 | — | — | US | disclosed |