⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2686745 | 1.00 | — | — | |
| SCHEMBL11485188 | 1.00 | TSHR (0.33) | — | |
| SCHEMBL23992 | 1.00 | — | — | |
| SCHEMBL2713018 | 1.00 | — | — | |
| Isobutane SCHEMBL3410753 | 0.96 | TSHR (0.31) | — | |
| Iodide SCHEMBL31325854 | 0.96 | — | — | |
| Methane SCHEMBL11669299 | 0.96 | — | — | |
| Water SCHEMBL29494590 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL2909006 | 0.96 | — | — | |
| SCHEMBL917059 | 0.96 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116893235-A | Method and kit for determining polychlorinated biphenyl and multi-class brominated flame retardant residues in traditional Chinese medicine | 江苏省食品药品监督检验研究院(江苏省食品质量安全监控中心) | 2023-10-17 | — | — | CN | claimed |
| CN-116893235-A | Method and kit for determining polychlorinated biphenyl and multi-class brominated flame retardant residues in traditional Chinese medicine | 江苏省食品药品监督检验研究院(江苏省食品质量安全监控中心) | 2023-10-17 | — | — | CN | disclosed |
| CN-116603843-A | Monitoring method of in-situ site repair process | 北京建工环境修复股份有限公司 | 2023-08-18 | — | — | CN | disclosed |