⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7041341 | 0.81 | HSD17B10 (0.36) | — | |
| SCHEMBL2058553 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL24548615 | 0.74 | MAPK1 (0.46) | — | |
| SCHEMBL20572472 | 0.73 | — | — | |
| SCHEMBL19182728 | 0.73 | — | — | |
| SCHEMBL4730355 | 0.71 | — | — | |
| SCHEMBL710785 | 0.70 | — | — | |
| SCHEMBL28565801 | 0.70 | — | — | |
| SCHEMBL28807422 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL11860955 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114410-B1 | N-AMINO TETRAHYDROTHIAZINE DERIVATIVES, METHOD OF MANUFACTURE AND USE | WOMEN & INFANTS HOSPITAL (US) | 2015-03-25 | — | — | EP | disclosed |