⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10953174 | 0.97 | — | — | |
| SCHEMBL8935001 | 0.94 | — | — | |
| Hexane SCHEMBL11755954 | 0.85 | TRPM8 (0.35) | — | |
| SCHEMBL11758000 | 0.72 | KMT2A (0.45) | — | |
| SCHEMBL9493626 | 0.69 | — | — | |
| SCHEMBL3384167 | 0.69 | — | — | |
| SCHEMBL6544548 | 0.67 | — | — | |
| SCHEMBL1026227 | 0.67 | — | — | |
| SCHEMBL3757134 | 0.67 | — | — | |
| SCHEMBL9740834 | 0.66 | SMN1; SMN2 (0.37) | — |
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-4052486-A | PROCESS FOR PREPARING CYCLIC PHOSPHINIC ACID ESTERS | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-10-04 | — | — | US | disclosed |