⚠ 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 SCHEMBL27597557 | 0.96 | CA12 (0.92) | — | |
| Phenol SCHEMBL27855305 | 0.96 | CA12 (0.92) | — | |
| Phenol SCHEMBL31492940 | 0.96 | CA12 (0.92) | — | |
| Phenol SCHEMBL30603168 | 0.96 | CA12 (0.92) | — | |
| Phenol SCHEMBL28612854 | 0.96 | CA12 (0.92) | — | |
| Phenol SCHEMBL28070221 | 0.96 | CA12 (0.92) | — | |
| Phenol SCHEMBL6029809 | 0.96 | — | — | |
| Phenol SCHEMBL8521404 | 0.96 | CA12 (0.92) | — | |
| Phenol SCHEMBL2550579 | 0.96 | — | — | |
| Phenol SCHEMBL2194012 | 0.96 | CA12 (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-108772048-A | A kind of Absorbent formula | 如皋宏皓金属表面水处理有限公司 | 2018-11-09 | — | — | CN | disclosed |