⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL162167 | 0.97 | — | — | |
| SCHEMBL29679751 | 0.97 | — | — | |
| Water SCHEMBL28038801 | 0.94 | — | — | |
| Fluoride SCHEMBL28293575 | 0.94 | — | — | |
| Phosphine SCHEMBL27769130 | 0.94 | — | — | |
| SCHEMBL5570115 | 0.94 | — | — | |
| SCHEMBL7263412 | 0.94 | — | — | |
| Benzene SCHEMBL27706746 | 0.94 | TSHR (0.53) | — | |
| Hydrochloric Acid SCHEMBL10643312 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27989729 | 0.91 | TSHR (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102268041-A | Bulk electron-enriching phosphine ligand catalyst and preparation method and use thereof | — | 2011-12-07 | — | — | CN | disclosed |
| US-6413677-B1 | THIOCARBONATE ELECTROLYTE | UBE INDUSTRIES, LTD. (JP) | 2002-07-02 | — | — | US | disclosed |