⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21135723 | 0.88 | — | — | |
| SCHEMBL13859963 | 0.82 | — | — | |
| SCHEMBL19982216 | 0.82 | — | — | |
| SCHEMBL24202226 | 0.82 | — | — | |
| SCHEMBL18773754 | 0.78 | — | — | |
| SCHEMBL24649602 | 0.78 | — | — | |
| SCHEMBL24039024 | 0.76 | — | — | |
| SCHEMBL18499351 | 0.76 | — | — | |
| SCHEMBL14402932 | 0.74 | NR1I2 (0.34) | — | |
| SCHEMBL14190855 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023133260-A2 | CHEMICAL TARGETING SWI/SNF RELATED, MATRIX ASSOCIATED, ACTIN DEPENDENT REGULATOR OF CHROMATIN, SUBFAMILY A, MEMBER 4 (SMARCA4) AND USE IN DIFFUSE INTRINSIC PONTINE GLIOMA (DIPG) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2023-07-13 | — | — | WO | disclosed |