⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL90066 | 0.76 | — | — | |
| SCHEMBL16455039 | 0.76 | — | — | |
| SCHEMBL14111108 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL25346774 | 0.74 | KAT6A (0.31) | — | |
| SCHEMBL12133101 | 0.74 | — | — | |
| SCHEMBL3106378 | 0.74 | CCR2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL25346768 | 0.74 | KAT6A (0.31) | — | |
| SCHEMBL28817525 | 0.74 | — | — | |
| SCHEMBL18788447 | 0.72 | PARP1 (0.43) | — | |
| SCHEMBL16178360 | 0.72 | PARP1 (0.43) | — |
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-0188805-B1 | 1,3-DITHIOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1989-09-06 | — | — | EP | claimed |