⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6971193 | 0.97 | — | — | |
| SCHEMBL6972093 | 0.81 | ADRB2 (0.38) | — | |
| SCHEMBL18815465 | 0.74 | — | — | |
| SCHEMBL18631 | 0.73 | — | — | |
| SCHEMBL18815470 | 0.72 | — | — | |
| SCHEMBL18815451 | 0.72 | — | — | |
| SCHEMBL18815468 | 0.72 | — | — | |
| SCHEMBL18815446 | 0.72 | — | — | |
| SCHEMBL18815457 | 0.70 | — | — | |
| SCHEMBL18815455 | 0.69 | — | — |
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-104910305-A | Polymers with improved toughness and ESCR for large-part blow molding applications | CHEVRON PHILLIPS CHEMICAL CO | 2015-09-16 | — | — | CN | disclosed |