⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21943824 | 0.73 | EPHX1 (0.34) | — | |
| SCHEMBL21923040 | 0.71 | EPHX2 (0.37) | — | |
| SCHEMBL21943823 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL17322191 | 0.62 | CA1 (0.42) | — | |
| SCHEMBL20784954 | 0.61 | GRIN2D (0.34) | — | |
| SCHEMBL14616646 | 0.60 | CA1 (0.36) | — | |
| SCHEMBL8934429 | 0.60 | MMP1 (0.36) | — | |
| SCHEMBL17226199 | 0.60 | GRIN2D (0.33) | — | |
| SCHEMBL10146184 | 0.58 | GRIN2D (0.41) | — | |
| SCHEMBL13301181 | 0.58 | MMP1 (0.38) | — |
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-3644122-A1 | ONIUM SALT, NEGATIVE RESIST COMPOSITION, AND RESIST PATTERN FORMING PROCESS | Shin-Etsu Chemical Co., Ltd. (JP) | 2020-04-29 | — | — | EP | disclosed |