⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4441288 | 0.78 | CYP2A6 (0.32) | — | |
| SCHEMBL4743755 | 0.75 | CYP2A6 (0.32) | — | |
| SCHEMBL4448548 | 0.74 | — | — | |
| SCHEMBL10067905 | 0.71 | CYP2A6 (0.35) | — | |
| SCHEMBL4448546 | 0.70 | CYP2A6 (0.36) | — | |
| SCHEMBL4745713 | 0.69 | CYP2A6 (0.33) | — | |
| SCHEMBL4443096 | 0.68 | — | — | |
| SCHEMBL4401579 | 0.67 | CYP2A6 (0.36) | — | |
| SCHEMBL4450983 | 0.67 | CYP2A6 (0.31) | — | |
| SCHEMBL4442946 | 0.67 | CYP2A6 (0.31) | — |
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-2447775-A1 | Resist underlayer film composition and patterning process using the same | Shin-Etsu Chemical Co., Ltd. (JP) | 2012-05-02 | — | — | EP | disclosed |