⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL9437084 | 0.86 | — | — | |
| SCHEMBL7035040 | 0.82 | KCNH2 (0.37) | — | |
| SCHEMBL8384402 | 0.75 | — | — | |
| SCHEMBL6910589 | 0.73 | — | — | |
| SCHEMBL7763681 | 0.70 | — | — | |
| SCHEMBL6343863 | 0.70 | — | — | |
| SCHEMBL6012056 | 0.69 | — | — | |
| SCHEMBL6267148 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4386739 | 0.69 | — | — | |
| SCHEMBL6858951 | 0.69 | — | — |
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-6100352-A | USING A CATALYST CONSISTING OF A TRANSITION METAL COMPOUND, A COMPOUND CAPABLE OF FORMING AN IONIC COMPOUND BY REACTING WITH THE TRANSITION METAL COMPOUND OR AN OXYGEN-CONTAINING COMPOUND SUCH AS ALUMINOXANE | IDEMITSU KOSAN CO., LTD. (JP) | 2000-08-08 | — | — | US | disclosed |