⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15097110 | 0.77 | ALOX15 (0.32) | — | |
| SCHEMBL15097712 | 0.76 | — | — | |
| SCHEMBL11440332 | 0.76 | CYP1A2 (0.32) | — | |
| SCHEMBL15097116 | 0.76 | — | — | |
| SCHEMBL15097111 | 0.73 | CYP1A2 (0.30) | — | |
| SCHEMBL15097113 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL15097109 | 0.72 | SQOR (0.34) | — | |
| SCHEMBL12482055 | 0.71 | — | — | |
| SCHEMBL12406441 | 0.68 | CA1 (0.33) | — | |
| SCHEMBL15097707 | 0.67 | — | — |
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-20130177851-A1 | PHOTORESIST COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-07-11 | — | — | US | disclosed |