⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6810291 | 0.78 | GPR3 (0.32) | — | |
| SCHEMBL27883419 | 0.74 | BCHE (0.31) | — | |
| SCHEMBL3682619 | 0.74 | GPR3 (0.30) | — | |
| SCHEMBL7697621 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL27900768 | 0.72 | BCHE (0.33) | — | |
| SCHEMBL27546444 | 0.70 | BCHE (0.37) | — | |
| SCHEMBL3686942 | 0.68 | HTT (0.31) | — | |
| SCHEMBL566019 | 0.67 | GPR3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL4639609 | 0.66 | GPR3 (0.33) | — | |
| SCHEMBL27883433 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102791750-A | Ethylene-alpha-olefin copolymer and molded article | SUMITOMO CHEMICAL CO | 2012-11-21 | — | — | CN | disclosed |