⚠ 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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL10419161 | 0.97 | TRPA1 (0.60) | — | |
| Orthocresol SCHEMBL16002 | 0.97 | — | — | |
| Orthocresol SCHEMBL8710164 | 0.97 | TRPA1 (0.60) | — | |
| Orthocresol SCHEMBL29395276 | 0.97 | — | — | |
| Orthocresol SCHEMBL170162 | 0.97 | TRPA1 (0.60) | — | |
| Orthocresol SCHEMBL3890279 | 0.94 | TRPA1 (0.57) | — | |
| Orthocresol SCHEMBL11055588 | 0.94 | TRPA1 (0.57) | — | |
| Orthocresol SCHEMBL3862455 | 0.94 | TRPA1 (0.57) | — | |
| Orthocresol SCHEMBL8995948 | 0.94 | — | — | |
| Orthocresol SCHEMBL5481807 | 0.94 | — | — |
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-109715824-A | Enzymatic nucleic acid synthesis | 哈佛学院董事及会员团体 | 2019-05-03 | — | — | CN | disclosed |