⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL318519 | 1.00 | — | — | |
| SCHEMBL4655081 | 0.93 | LMNA (0.52) | — | |
| SCHEMBL3059051 | 0.93 | LMNA (0.52) | — | |
| SCHEMBL5848589 | 0.91 | TSHR (0.55) | — | |
| SCHEMBL1195012 | 0.91 | TSHR (0.55) | — | |
| SCHEMBL23854568 | 0.91 | TSHR (0.55) | — | |
| SCHEMBL11595992 | 0.91 | TSHR (0.55) | — | |
| SCHEMBL23829849 | 0.91 | TSHR (0.55) | — | |
| SCHEMBL5974021 | 0.91 | TSHR (0.55) | — | |
| SCHEMBL28582984 | 0.91 | TSHR (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101472601-A | Non-natural amino acids and neurotensin analogs thereof | UNIV SOUTH CAROLINA (US) | 2009-07-01 | — | — | CN | disclosed |
| CN-101035756-A | Non-natural amino acids | MUSC FOUND FOR RES DEV (US) | 2007-09-12 | — | — | CN | disclosed |