Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Fluorobenzene. 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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL31135399 | 1.00 | NFE2L2 (0.50) | — | |
| Fluorobenzene SCHEMBL31316647 | 0.96 | — | — | |
| Fluorobenzene SCHEMBL27957654 | 0.96 | NFE2L2 (0.53) | — | |
| SCHEMBL22526495 | 0.96 | NFE2L2 (0.53) | — | |
| Fluorobenzene SCHEMBL7024891 | 0.96 | — | — | |
| Fluorobenzene SCHEMBL14012524 | 0.96 | — | — | |
| Fluorobenzene SCHEMBL12363 | 0.96 | — | — | |
| Fluorobenzene SCHEMBL15544432 | 0.96 | NFE2L2 (0.53) | — | |
| Fluorobenzene SCHEMBL9278138 | 0.92 | — | — | |
| Fluorobenzene SCHEMBL8174371 | 0.92 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3861081-A1 | LATENTLY REACTIVE ADHESIVE FILM | tesa SE (DE) | 2021-08-11 | — | — | EP | disclosed |
| WO-2020069884-A1 | LATENTLY REACTIVE ADHESIVE FILM | TESA SE (DE) | 2020-04-09 | — | — | WO | disclosed |
| CN-101977905-B | 4-pyridinone compounds and their use for cancer | BRISTOL MYERS SQUIBB CO | 2014-07-02 | — | — | CN | disclosed |
| CN-101977905-A | 4-pyridinone compounds and their use for cancer | BRISTOL MYERS SQUIBB CO | 2011-02-16 | — | — | CN | disclosed |