⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL27671330 | 0.87 | — | — | |
| Phosphine SCHEMBL6540196 | 0.87 | — | — | |
| SCHEMBL27997134 | 0.87 | — | — | |
| Phosphine SCHEMBL28229696 | 0.87 | — | — | |
| Phosphine SCHEMBL28067126 | 0.82 | — | — | |
| Phosphine SCHEMBL28090967 | 0.75 | — | — | |
| Phosphine SCHEMBL6541663 | 0.75 | — | — | |
| Phosphine SCHEMBL28104432 | 0.75 | — | — | |
| SCHEMBL7709526 | 0.75 | — | — | |
| Phosphine SCHEMBL26645853 | 0.75 | — | — |
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-1994018994-A1 | THERAPEUTIC HERBAL COMPOSITION | PHARMAKON USA, INC. (US) | 1994-09-01 | — | — | WO | disclosed |