Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenol. 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL10627588 | 0.92 | CA12 (0.85) | — | |
| Phenol SCHEMBL11319397 | 0.92 | CA12 (0.85) | — | |
| Phenol SCHEMBL8986244 | 0.92 | CA12 (0.85) | — | |
| Phenol SCHEMBL11294759 | 0.92 | CA12 (0.85) | — | |
| Phenol SCHEMBL1736173 | 0.92 | — | — | |
| Phenol SCHEMBL32679316 | 0.92 | CA12 (0.85) | — | |
| Phenol SCHEMBL8857356 | 0.92 | CA12 (0.85) | — | |
| Phenol SCHEMBL5849614 | 0.92 | — | — | |
| Phenol SCHEMBL11316144 | 0.92 | CA12 (0.85) | — | |
| Phenol SCHEMBL3723819 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105990606-B | A kind of lithium ion battery | 北京大学深圳研究生院 | 2019-03-12 | — | — | CN | disclosed |