⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18845146 | 0.81 | POLB (0.31) | — | |
| SCHEMBL5613479 | 0.79 | HCAR2 (0.36) | — | |
| SCHEMBL21574538 | 0.76 | LMNA (0.33) | — | |
| SCHEMBL20820968 | 0.76 | — | — | |
| SCHEMBL18898224 | 0.76 | — | — | |
| SCHEMBL18480033 | 0.76 | HTT (0.42) | — | |
| SCHEMBL5613175 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL5613181 | 0.74 | CYP4F2 (0.42) | — | |
| SCHEMBL18898222 | 0.73 | — | — | |
| SCHEMBL18772396 | 0.73 | CHRM2 (0.47) | — |
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-20170299963-A1 | MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-10-19 | — | — | US | disclosed |