⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL263285 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL5881430 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL11297781 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL9427942 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL11666638 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL6894712 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL17378118 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL437976 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL5881347 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL1051029 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100099875-A1 | NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS | PHOSPHOENIX SARL (FR) | 2010-04-22 | — | — | US | disclosed |