⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27426329 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL11316071 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL4599373 | 0.63 | GABRP (0.31) | — | |
| Benzene SCHEMBL4441372 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL28213027 | 0.61 | KDM4E (0.38) | — | |
| SCHEMBL7773756 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL11307657 | 0.60 | ABAT (0.31) | — | |
| SCHEMBL25430610 | 0.59 | — | — | |
| SCHEMBL13830714 | 0.58 | GABRP (0.33) | — | |
| SCHEMBL29954545 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276484-B2 | Dipeptide inhibitors of β-secretase | ELAN PHARMACEUTICALS, INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050182138-A1 | Dipeptide inhibitors of beta-secretase | ELAN PHARMACEUTICALS, INC. | 2005-08-18 | — | — | US | disclosed |
| US-6864240-B1 | Dipeptide inhibitors of β-secretase | ELAN PHARMACEUTICALS, INC. (US) | 2005-03-08 | — | — | US | disclosed |