⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25272908 | 0.87 | BRD4 (0.31) | — | |
| SCHEMBL28550963 | 0.79 | PDCD1 (0.36) | — | |
| SCHEMBL7036670 | 0.74 | — | — | |
| SCHEMBL7030209 | 0.73 | — | — | |
| SCHEMBL16669020 | 0.72 | — | — | |
| SCHEMBL7036182 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL16668672 | 0.71 | — | — | |
| SCHEMBL16668778 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL16668975 | 0.70 | — | — | |
| SCHEMBL5084813 | 0.69 | PDCD1 (0.39) | — |
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-20150147552-A1 | Reverse Staged Impact Copolymers | EXXONMOBIL CHEMICAL PATENTS INC. | 2015-05-28 | — | — | US | disclosed |