⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6751579 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL4957320 | 0.73 | MAPT (0.50) | — | |
| SCHEMBL6851229 | 0.71 | SIGMAR1 (0.39) | — | |
| SCHEMBL27487769 | 0.71 | MAPT (0.46) | — | |
| SCHEMBL6851021 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL6854905 | 0.71 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL6857887 | 0.71 | TSHR (0.45) | — | |
| SCHEMBL6851041 | 0.70 | ALDH1A1 (0.48) | — | |
| SCHEMBL8623341 | 0.68 | LMNA (0.46) | — | |
| SCHEMBL30879948 | 0.67 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003053572-A1 | METHOD FOR HYDROFORMYLATION IN THE PRESENCE OF A POLYMERIC LIGAND COMPRISING PHOSPHACYCLOHEXANE STRUCTURAL ELEMENTS | BASF AKTIENGESELLSCHAFT (DE) | 2003-07-03 | — | — | WO | disclosed |