⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9520374 | 0.82 | ADRA1A (0.39) | — | |
| SCHEMBL9520335 | 0.72 | MEN1 (0.33) | — | |
| Bicarbonate SCHEMBL1317152 | 0.63 | CA1 (0.35) | — | |
| SCHEMBL583681 | 0.62 | — | — | |
| SCHEMBL9521372 | 0.61 | ADRA1A (0.50) | — | |
| Procysteine SCHEMBL1150486 | 0.60 | HTT (0.45) | — | |
| Methacrylic Acid SCHEMBL22009643 | 0.59 | TDP1 (0.31) | — | |
| SCHEMBL1685875 | 0.58 | ALDH1A1 (0.43) | — | |
| Acetone SCHEMBL4923420 | 0.58 | LMNA (0.35) | — | |
| Oxaloacetate SCHEMBL10441270 | 0.58 | ERCC5 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0366614-B1 | PHARMACEUTICALLY ACTIVE DITHIOKETENE DERIVATIVES | YUHAN CORPORATION, LTD. (KR) | 1993-09-01 | — | — | EP | disclosed |
| US-5103013-A | For treating liver disorders | YUHAN CORPORATION, LTD. (KR) | 1992-04-07 | — | — | US | disclosed |