⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27930509 | 0.82 | CA1 (0.36) | — | |
| SCHEMBL28178657 | 0.82 | TSHR (0.44) | — | |
| SCHEMBL9543126 | 0.82 | CA1 (0.41) | — | |
| SCHEMBL28765483 | 0.80 | CA1 (0.34) | — | |
| SCHEMBL30164353 | 0.79 | CA1 (0.39) | — | |
| SCHEMBL575454 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL575603 | 0.77 | TSHR (0.55) | — | |
| SCHEMBL776569 | 0.77 | — | — | |
| SCHEMBL4615228 | 0.74 | — | — | |
| SCHEMBL14779186 | 0.74 | TSHR (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105301119-B | Protein amino acid sequence de novo sequencing method based on the heavy label such as two ends are non- | 中国科学院大连化学物理研究所 | 2017-06-06 | — | — | CN | claimed |
| CN-106596760-A | Protein identification method based on two-end equal-weight label and database search | 北京理工大学 | 2017-04-26 | — | — | CN | claimed |
| CN-105301119-A | Protein amino acid sequence de novo sequencing method based on unequal stable isotope labeling at two ends of polypeptide | DALIAN CHEMICAL PHYSICS INST | 2016-02-03 | — | — | CN | claimed |
| CN-106596760-A | Protein identification method based on two-end equal-weight label and database search | 北京理工大学 | 2017-04-26 | — | — | CN | disclosed |