⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL767196 | 0.53 | — | — | |
| SCHEMBL12219421 | 0.51 | CCR8 (0.50) | — | |
| SCHEMBL8776016 | 0.45 | CYP2A6 (0.36) | — | |
| SCHEMBL205284 | 0.45 | — | — | |
| SCHEMBL8058639 | 0.45 | CYP2A6 (0.36) | — | |
| Arsenic SCHEMBL1011659 | 0.35 | — | — | |
| Arsenic SCHEMBL5056663 | 0.35 | — | — | |
| SCHEMBL336217 | 0.35 | — | — | |
| SCHEMBL28119142 | 0.35 | — | — | |
| Arsenic SCHEMBL6036372 | 0.29 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0260541-A2 | Electroactive polymers and method of making them | HONEYWELL INC. (US) | 1988-03-23 | — | — | EP | disclosed |