⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1959323 | 0.62 | PAX8 (0.32) | — | |
| SCHEMBL4755246 | 0.60 | CDK5 (0.32) | — | |
| SCHEMBL7088558 | 0.60 | — | — | |
| Strontium SCHEMBL4758126 | 0.60 | CDK5 (0.32) | — | |
| Potassium SCHEMBL4755261 | 0.60 | CDK5 (0.32) | — | |
| Hydrochloric Acid SCHEMBL16689956 | 0.60 | CDK5 (0.32) | — | |
| SCHEMBL16414980 | 0.60 | CDK5 (0.32) | — | |
| SCHEMBL25299764 | 0.55 | PAX8 (0.33) | — | |
| SCHEMBL28809285 | 0.50 | ALOX15 (0.30) | — | |
| SCHEMBL7736067 | 0.49 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105884794-A | Preparation method and application of organic conjugated micro-molecules rich in nitrogen and sulfur | 中国科学院化学研究所 | 2016-08-24 | — | — | CN | claimed |
| CN-105884794-A | Preparation method and application of organic conjugated micro-molecules rich in nitrogen and sulfur | 中国科学院化学研究所 | 2016-08-24 | — | — | CN | disclosed |