⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17300296 | 0.90 | PRKCA (0.30) | — | |
| SCHEMBL17300293 | 0.90 | — | — | |
| SCHEMBL17300297 | 0.85 | CCR2 (0.32) | — | |
| SCHEMBL17300314 | 0.82 | CYP3A4 (0.31) | — | |
| SCHEMBL17300299 | 0.82 | — | — | |
| SCHEMBL17300303 | 0.81 | — | — | |
| SCHEMBL17300292 | 0.79 | — | — | |
| SCHEMBL18792992 | 0.78 | PRKCA (0.32) | — | |
| SCHEMBL17300298 | 0.77 | CYP3A4 (0.30) | — | |
| SCHEMBL15946492 | 0.77 | ALDH1A1 (0.33) | — |
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-20150346600-A1 | RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-12-03 | — | — | US | disclosed |