⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2632266 | 1.00 | — | — | |
| SCHEMBL2109227 | 0.75 | CA1 (0.36) | — | |
| SCHEMBL2109230 | 0.75 | CA1 (0.36) | — | |
| SCHEMBL2632268 | 0.75 | USP2 (0.44) | — | |
| SCHEMBL2632269 | 0.74 | PLA2G2C (0.35) | — | |
| SCHEMBL14755325 | 0.74 | PLA2G2C (0.35) | — | |
| SCHEMBL10816729 | 0.73 | LPAR1 (0.46) | — | |
| SCHEMBL11302968 | 0.72 | LPAR1 (0.49) | — | |
| SCHEMBL12386622 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL2632262 | 0.70 | PLA2G2C (0.36) | — |
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 |