⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28316984 | 0.75 | — | — | |
| SCHEMBL44499 | 0.74 | — | — | |
| SCHEMBL1325482 | 0.73 | CA12 (0.31) | — | |
| Hydrochloric Acid SCHEMBL27458736 | 0.72 | — | — | |
| SCHEMBL277738 | 0.67 | — | — | |
| Sulfamate SCHEMBL17107453 | 0.67 | CA2 (0.42) | — | |
| SCHEMBL7207131 | 0.65 | — | — | |
| SCHEMBL1468276 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27918220 | 0.65 | — | — | |
| Sulfuric Acid SCHEMBL28445743 | 0.64 | TSHR (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |