⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27787510 | 0.93 | TP53 (0.43) | — | |
| Benzene SCHEMBL27582634 | 0.93 | TP53 (0.43) | — | |
| Benzene SCHEMBL29129926 | 0.91 | TSHR (0.60) | — | |
| Benzene SCHEMBL9017660 | 0.91 | TSHR (0.60) | — | |
| Benzene SCHEMBL5314229 | 0.91 | — | — | |
| Benzene SCHEMBL27737058 | 0.83 | — | — | |
| Benzene SCHEMBL28790877 | 0.83 | — | — | |
| Benzene SCHEMBL27789340 | 0.83 | TSHR (0.50) | — | |
| Benzene SCHEMBL27787587 | 0.83 | TSHR (0.50) | — | |
| Benzene SCHEMBL27615140 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108028364-A | Lithium ion battery | 瓦克化学股份公司 | 2018-05-11 | — | — | CN | claimed |