⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL789243 | 0.74 | — | — | |
| SCHEMBL11507660 | 0.72 | — | — | |
| SCHEMBL2697434 | 0.72 | — | — | |
| SCHEMBL13862475 | 0.72 | — | — | |
| SCHEMBL879175 | 0.72 | — | — | |
| SCHEMBL13814963 | 0.72 | — | — | |
| SCHEMBL18930213 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6901898 | 0.70 | CYP3A4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL6901904 | 0.70 | CYP3A4 (0.42) | — | |
| SCHEMBL21505680 | 0.69 | CYP3A4 (0.37) | — |
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-107325603-B | A kind of aqueous photochromic coating, nail polish and ornament materials | 张家港康得新光电材料有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-104011161-A | Adhesive especially for an encapsulation of electronic assembly | TESA SE | 2014-08-27 | — | — | CN | disclosed |
| CN-100381431-C | Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives | FMC CORP (DE) | 2008-04-16 | — | — | CN | disclosed |
| CN-1780825-A | Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives | FMC CORP (US) | 2006-05-31 | — | — | CN | disclosed |