⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31519424 | 1.00 | — | — | |
| SCHEMBL3250029 | 0.83 | TSHR (0.42) | — | |
| SCHEMBL10399906 | 0.79 | — | — | |
| SCHEMBL23924474 | 0.78 | — | — | |
| SCHEMBL23924543 | 0.78 | — | — | |
| SCHEMBL1454442 | 0.76 | — | — | |
| SCHEMBL37547 | 0.76 | — | — | |
| SCHEMBL2136973 | 0.76 | — | — | |
| SCHEMBL4902276 | 0.76 | — | — | |
| SCHEMBL2139429 | 0.74 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5369097-A | Glycerol backbone, quaternary ammonium compound | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 1994-11-29 | — | — | US | disclosed |
| EP-0581793-A1 | PHOSPHONATES AND PHOSPHINATES AS ANTI-CANCER, -INFLAMMATORY, -ALLERGY AND -MYOCARDITIS AGENTS | UNIVERSITY OF BRITISH COLUMBIA (CA) | 1994-02-09 | — | — | EP | disclosed |
| US-5219845-A | Having a glycerol backbone and polar head; anticarcinogenic and-tumor agents; antiallergens; cardiovascular disorders | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 1993-06-15 | — | — | US | disclosed |
| WO-1992019627-A2 | PHOSPHONATES AND PHOSPHINATES AS ANTI-CANCER, -INFLAMMATORY, -ALLERGY AND -MYOCARDITIS AGENTS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 1992-11-12 | — | — | WO | disclosed |