⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15546751 | 0.80 | — | — | |
| SCHEMBL458096 | 0.74 | — | — | |
| SCHEMBL5174528 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL2371285 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL120940 | 0.71 | — | — | |
| SCHEMBL835803 | 0.71 | — | — | |
| SCHEMBL18420879 | 0.69 | — | — | |
| SCHEMBL2708376 | 0.69 | — | — | |
| SCHEMBL8015287 | 0.69 | — | — | |
| SCHEMBL27527394 | 0.67 | — | — |
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-2007039383-A1 | PHOSPHORESCENT MIXTURES | WACKER CHEMIE AG (DE) | 2007-04-12 | — | — | WO | disclosed |
| US-5240835-A | Reacting unsaturated ester with a polyol in presence of biocatalyst derived from Corynebacterium oxydans | GENENCOR INTERNATIONAL, INC. (US) | 1993-08-31 | — | — | US | disclosed |