⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27711400 | 0.90 | — | — | |
| SCHEMBL2026151 | 0.83 | LMNA (0.38) | — | |
| SCHEMBL7712357 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL17259074 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL2786441 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL2336676 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL7712167 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL2295801 | 0.76 | — | — | |
| SCHEMBL8781415 | 0.75 | — | — | |
| SCHEMBL8057315 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5470997-A | Amphetamine derivatives and protein and polypeptide amphetamine derivative conjugates and labels | BIOSITE DIAGNOSTICS INCORPORATED (US) | 1995-11-28 | — | — | US | disclosed |
| EP-0634999-A4 | NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS. | — | 1995-02-01 | — | — | EP | disclosed |
| EP-0634999-A1 | NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS | BIOSITE DIAGNOSTICS INC. (US) | 1995-01-25 | — | — | EP | disclosed |
| WO-1993020048-A1 | NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS | BIOSITE DIAGNOSTICS INCORPORATED (US) | 1993-10-14 | — | — | WO | disclosed |