⚠ 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 | |
|---|---|---|---|---|
| Guanidine SCHEMBL27984898 | 0.78 | — | — | |
| Diethyl Sulfide SCHEMBL11503638 | 0.78 | — | — | |
| Carbamic Acid SCHEMBL21986555 | 0.78 | ACHE (0.47) | — | |
| Carbamic Acid SCHEMBL27842927 | 0.76 | — | — | |
| Carbamic Acid SCHEMBL16971307 | 0.76 | — | — | |
| Carbamic Acid SCHEMBL11503639 | 0.76 | ACHE (0.54) | — | |
| Carbamic Acid SCHEMBL27929645 | 0.75 | — | — | |
| Diethyl Sulfide SCHEMBL10511075 | 0.75 | TSHR (0.44) | — | |
| Carbamic Acid SCHEMBL28546467 | 0.75 | ACHE (0.44) | — | |
| Carbamic Acid SCHEMBL29007335 | 0.75 | ACHE (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3914241-A1 | ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME | Yale University (US) | 2021-12-01 | — | — | EP | disclosed |
| US-20210085796-A1 | ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME | YALE UNIVERSITY | 2021-03-25 | — | — | US | disclosed |
| WO-2020154672-A1 | ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME | YALE UNIVERSITY (US) | 2020-07-30 | — | — | WO | disclosed |
| EP-3659307-A1 | Anticancer Drugs and Methods of Making and Using Same | Yale University (US) | 2020-06-03 | — | — | EP | disclosed |