⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4141652 | 0.80 | CA12 (0.32) | — | |
| SCHEMBL4141650 | 0.80 | CA12 (0.32) | — | |
| SCHEMBL17050367 | 0.80 | CA12 (0.32) | — | |
| SCHEMBL9825498 | 0.76 | — | — | |
| SCHEMBL10548828 | 0.76 | — | — | |
| SCHEMBL613869 | 0.73 | CTSK (0.32) | — | |
| SCHEMBL11052178 | 0.73 | GAA (0.36) | — | |
| SCHEMBL11052184 | 0.73 | GAA (0.36) | — | |
| SCHEMBL94143 | 0.73 | CTSK (0.32) | — | |
| SCHEMBL94144 | 0.73 | CTSK (0.32) | — |
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-2014119649-A1 | COMPOUND EXHIBITING REGULATORY ACTIVITY ON LYSOPHOSPHATIDYLSERINE RECEPTOR FUNCTION | 国立大学法人 東京大学 (JP) | 2014-08-07 | — | — | WO | disclosed |