Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 SCHEMBL27960990 | 0.80 | TP53 (0.60) | — | |
| Benzene SCHEMBL26118037 | 0.80 | TP53 (0.60) | — | |
| Benzene SCHEMBL28150576 | 0.80 | — | — | |
| Benzene SCHEMBL8473013 | 0.80 | — | — | |
| Benzene SCHEMBL5692708 | 0.80 | — | — | |
| Benzene SCHEMBL28774898 | 0.80 | — | — | |
| SCHEMBL1086976 | 0.78 | TSHR (1.00) | — | |
| SCHEMBL1112772 | 0.78 | TSHR (1.00) | — | |
| Benzene SCHEMBL8430159 | 0.78 | TSHR (1.00) | — | |
| Benzene SCHEMBL8022649 | 0.78 | TSHR (1.00) | — |
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-103165894-B | Graphene-hydroxyl lithium composite and its preparation method and application | 海洋王照明科技股份有限公司 | 2016-11-23 | — | — | CN | claimed |