⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12039729 | 0.87 | POLB (0.34) | — | |
| SCHEMBL4277430 | 0.85 | POLB (0.33) | — | |
| SCHEMBL12157326 | 0.83 | CYP4F2 (0.32) | — | |
| SCHEMBL18850242 | 0.82 | — | — | |
| SCHEMBL19220940 | 0.80 | — | — | |
| SCHEMBL15115537 | 0.80 | GAA (0.33) | — | |
| SCHEMBL12039734 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL26488793 | 0.77 | — | — | |
| SCHEMBL9880655 | 0.77 | — | — | |
| SCHEMBL15115552 | 0.75 | CHRNB2 (0.41) | — |
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-9916916-B2 | Conductive material and substrate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-13 | — | — | US | disclosed |