⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25863198 | 0.84 | — | — | |
| SCHEMBL23558462 | 0.75 | ACACB (0.34) | — | |
| SCHEMBL25856770 | 0.70 | CNR1 (0.40) | — | |
| SCHEMBL25856722 | 0.70 | KDM4E (0.39) | — | |
| SCHEMBL25856727 | 0.68 | NCOA1 (0.40) | — | |
| SCHEMBL25856817 | 0.67 | CNR1 (0.32) | — | |
| SCHEMBL25856939 | 0.66 | CNR1 (0.40) | — | |
| SCHEMBL23558365 | 0.64 | ABL1 (0.35) | — | |
| SCHEMBL23557952 | 0.63 | MAPT (0.41) | — | |
| SCHEMBL23558152 | 0.63 | MAPT (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210188826-A1 | COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME | TREVENA, INC. | 2021-06-24 | — | — | US | disclosed |