⚠ 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 | 0.93 | CYP2A6 (0.32) | — | |
| SCHEMBL4438927 | 0.92 | CYP2A6 (0.30) | — | |
| SCHEMBL4745713 | 0.84 | CYP2A6 (0.33) | — | |
| SCHEMBL4402544 | 0.84 | CYP2A6 (0.33) | — | |
| SCHEMBL4408077 | 0.82 | — | — | |
| SCHEMBL4403431 | 0.78 | — | — | |
| SCHEMBL4443096 | 0.75 | — | — | |
| SCHEMBL4401579 | 0.75 | CYP2A6 (0.36) | — | |
| SCHEMBL10072579 | 0.75 | — | — | |
| SCHEMBL10067907 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8877422-B2 | Resist underlayer film composition and patterning process using the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-11-04 | — | — | US | disclosed |
| US-20120108071-A1 | RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-05-03 | — | — | US | disclosed |