⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4948752 | 0.96 | — | — | |
| SCHEMBL16037462 | 0.71 | ALDH1A1 (1.00) | — | |
| SCHEMBL56391 | 0.71 | — | — | |
| SCHEMBL30321467 | 0.67 | — | — | |
| SCHEMBL28293270 | 0.67 | — | — | |
| SCHEMBL2683512 | 0.67 | — | — | |
| Lithium SCHEMBL29763173 | 0.67 | — | — | |
| Lithium SCHEMBL29833770 | 0.67 | — | — | |
| SCHEMBL16038142 | 0.64 | ALDH1A1 (0.64) | — | |
| SCHEMBL59340 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008080060-A2 | 4-SE-THYMIDINE DERIVATIVES, 4-SE-URIDINE DERIVATIVES, DI (2-CYANOETHYL) DISELENIDE, AND METHODS | GEORGIA STATE UNIVERSITY (US) | 2008-07-03 | — | — | WO | claimed |
| WO-2008080060-A2 | 4-SE-THYMIDINE DERIVATIVES, 4-SE-URIDINE DERIVATIVES, DI (2-CYANOETHYL) DISELENIDE, AND METHODS | GEORGIA STATE UNIVERSITY (US) | 2008-07-03 | — | — | WO | disclosed |