⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8020406 | 1.00 | — | — | |
| SCHEMBL2932344 | 0.87 | BACE1 (0.32) | — | |
| SCHEMBL2931127 | 0.87 | BACE1 (0.32) | — | |
| SCHEMBL8030355 | 0.84 | BACE1 (0.31) | — | |
| SCHEMBL8030125 | 0.84 | BACE1 (0.31) | — | |
| SCHEMBL8028581 | 0.84 | BACE1 (0.31) | — | |
| SCHEMBL2619835 | 0.84 | BACE1 (0.31) | — | |
| SCHEMBL2619833 | 0.84 | BACE1 (0.31) | — | |
| SCHEMBL18192835 | 0.78 | — | — | |
| SCHEMBL2631666 | 0.78 | BACE1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009091016-A1 | CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2009-07-23 | — | — | WO | disclosed |