⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30570 | 0.95 | — | — | |
| SCHEMBL4805121 | 0.91 | — | — | |
| Water SCHEMBL20546842 | 0.91 | — | — | |
| Fluoride SCHEMBL27659500 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL308872 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL341033 | 0.91 | — | — | |
| Ethylene SCHEMBL28151594 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27910602 | 0.87 | — | — | |
| Ethylene Glycol SCHEMBL28150623 | 0.84 | TSHR (0.44) | — | |
| SCHEMBL5772267 | 0.78 | — | — |
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-1995018139-A1 | SYNTHESIS OF PROPARGYL MODIFIED NUCLEOSIDES AND PHOSPHORAMIDITES AND THEIR INCORPORATION INTO DEFINED SEQUENCE OLIGONUCLEOTIDES | CHEMGENES CORPORATION (US) | 1995-07-06 | — | — | WO | disclosed |