⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8361316 | 0.84 | ADRB2 (0.30) | — | |
| SCHEMBL8361315 | 0.79 | — | — | |
| SCHEMBL5860386 | 0.77 | ADRB2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL8357446 | 0.77 | BCHE (0.31) | — | |
| SCHEMBL2534256 | 0.76 | — | — | |
| SCHEMBL27463589 | 0.76 | ADRB2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27479292 | 0.75 | ADRB2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29612267 | 0.74 | ADRB2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28035007 | 0.74 | ADRB2 (0.32) | — | |
| SCHEMBL27524740 | 0.74 | ADRB2 (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-20030013913-A1 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-01-16 | — | — | US | disclosed |