⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21580995 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL12086586 | 0.76 | KMT2A (0.32) | — | |
| SCHEMBL21580998 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL12344594 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL12250052 | 0.64 | CYP4F2 (0.30) | — | |
| SCHEMBL14051447 | 0.62 | POLB (0.38) | — | |
| SCHEMBL10077149 | 0.61 | ESR1 (0.45) | — | |
| SCHEMBL13372400 | 0.61 | ABHD6 (0.30) | — | |
| SCHEMBL24777439 | 0.60 | — | — | |
| SCHEMBL14431612 | 0.60 | SMN1; SMN2 (0.32) | — |
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-3572876-A1 | MONOMER, POLYMER, NEGATIVE RESIST COMPOSITION, PHOTOMASK BLANK, AND RESIST PATTERN FORMING PROCESS | Shin-Etsu Chemical Co., Ltd. (JP) | 2019-11-27 | — | — | EP | disclosed |