⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1121775 | 0.81 | ESR1 (0.46) | — | |
| SCHEMBL21735 | 0.81 | TSHR (0.48) | — | |
| Water SCHEMBL28104416 | 0.81 | TSHR (0.48) | — | |
| SCHEMBL1042105 | 0.80 | — | — | |
| SCHEMBL27389069 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL27497107 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL1176245 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL27962246 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL27344926 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL27371242 | 0.79 | TSHR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1976888-B | Process for carbonylating phenylalkyl derivatives with carbon monoxide | SANOFI AVENTIS DEUTSCHLAND | 2010-11-10 | — | — | CN | disclosed |
| CN-101570476-A | Method for carbonylating phenylalkyl derivatives by means of carbon monoxide | SANOFI AVENTIS DEUTSCHLAND (DE) | 2009-11-04 | — | — | CN | disclosed |
| CN-1976888-A | Process for carbonylating phenylalkyl derivatives with carbon monoxide | SANOFI AVENTIS DEUTSCHLAND (DE) | 2007-06-06 | — | — | CN | disclosed |