⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17742617 | 0.76 | — | — | |
| SCHEMBL16079247 | 0.75 | TRPV3 (0.31) | — | |
| SCHEMBL16166069 | 0.74 | — | — | |
| SCHEMBL16166039 | 0.74 | — | — | |
| SCHEMBL18623850 | 0.74 | BACE1 (0.35) | — | |
| SCHEMBL13058585 | 0.71 | — | — | |
| SCHEMBL15705125 | 0.70 | DHODH (0.34) | — | |
| SCHEMBL31631820 | 0.70 | — | — | |
| SCHEMBL22528538 | 0.70 | — | — | |
| SCHEMBL18707692 | 0.68 | CYP1A2 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-03-16 | — | — | US | disclosed |
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-03-16 | — | — | US | disclosed |