⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7205612 | 0.85 | CA2 (0.60) | — | |
| SCHEMBL11314889 | 0.83 | CA2 (0.52) | — | |
| SCHEMBL2394929 | 0.81 | PPARA (0.52) | — | |
| SCHEMBL7207131 | 0.78 | — | — | |
| SCHEMBL4430993 | 0.76 | — | — | |
| SCHEMBL42318 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11222069 | 0.70 | — | — | |
| SCHEMBL7705957 | 0.70 | ADH1B (0.39) | — | |
| SCHEMBL4335791 | 0.65 | CA1 (0.50) | — | |
| SCHEMBL308930 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107629057-B | BET protein inhibitor and application thereof | 上海勋和医药科技有限公司 | 2020-03-27 | — | — | CN | disclosed |
| EP-0905202-B1 | PHOTOSTABILIZED CYANINE DYES AND OPTICAL RECORDING MEDIUM | TDK CORP (JP) | 2003-03-19 | — | — | EP | disclosed |
| US-6071672-A | QUATERNARY CYANINE DYE SALT WITH SUBSTITUTED BENZENEDITHIOL METAL COMPLEX ANION; COMPACT DISKS | TDK CORPORATION (JP) | 2000-06-06 | — | — | US | disclosed |
| EP-0905202-A1 | PHOTOSTABILIZED CYANINE DYES AND OPTICAL RECORDING MEDIUM | TDK Corporation (JP) | 1999-03-31 | — | — | EP | disclosed |