⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL846347 | 0.67 | — | — | |
| SCHEMBL5388818 | 0.64 | — | — | |
| SCHEMBL4069625 | 0.64 | — | — | |
| SCHEMBL3559648 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL7558753 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL6365960 | 0.57 | — | — | |
| Trichloroethanol SCHEMBL134202 | 0.57 | — | — | |
| SCHEMBL23396 | 0.55 | — | — | |
| SCHEMBL5705554 | 0.55 | — | — | |
| Ammonia Solution, Strong SCHEMBL9739864 | 0.54 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5846730-A | Labelled complex | CANON KABUSHIKI KAISHA (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0519474-B1 | Labeled complex | CANON KK (JP) | 1998-09-16 | — | — | EP | disclosed |
| US-5700647-A | LABELED COMPLEX FOR DETECTING SUBJECT COMPOUND TO BE ANALYZED BY OPTICAL MEANS USING NEAR-INFRARED RADIATION COMPRISING SUBSTANCE FROM LIVING ORGANISM AND LABELING AGENT FIXED THERETO | CANON KABUSHIKI KAISHA (JP) | 1997-12-23 | — | — | US | disclosed |
| US-5512446-A | STORAGE STABILITY | CANON KABUSHIKI KAISHA (JP) | 1996-04-30 | — | — | US | disclosed |
| EP-0519474-A1 | Labeled complex | CANON KABUSHIKI KAISHA (JP) | 1992-12-23 | — | — | EP | disclosed |