⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9611254 | 0.86 | — | — | |
| SCHEMBL30579009 | 0.86 | — | — | |
| SCHEMBL9913115 | 0.77 | — | — | |
| SCHEMBL7929454 | 0.72 | — | — | |
| SCHEMBL15373100 | 0.70 | CA1 (0.42) | — | |
| SCHEMBL13446118 | 0.69 | MEN1 (0.35) | — | |
| SCHEMBL14001361 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL10071561 | 0.69 | — | — | |
| SCHEMBL27173985 | 0.68 | DNM1 (0.31) | — | |
| SCHEMBL1560445 | 0.67 | CA1 (0.33) | — |
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-2010038686-A1 | NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE | エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) | 2010-04-08 | — | — | WO | disclosed |