⚠ 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL9728824 | 0.78 | — | — | |
| SCHEMBL5006754 | 0.77 | — | — | |
| SCHEMBL30388588 | 0.75 | — | — | |
| SCHEMBL6910213 | 0.75 | — | — | |
| SCHEMBL8778042 | 0.75 | — | — | |
| SCHEMBL11025629 | 0.73 | — | — | |
| SCHEMBL8574861 | 0.71 | ESR1 (0.31) | — | |
| SCHEMBL6361185 | 0.71 | — | — | |
| SCHEMBL7535602 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6361668 | 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-5169905-A | Using a bis(cyclopentadienyl)transition metal compound and an alkali aluminum organic complex as catalyst | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1992-12-08 | — | — | US | disclosed |