⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7976967 | 0.92 | POLB (0.32) | — | |
| SCHEMBL10663300 | 0.74 | — | — | |
| SCHEMBL9781967 | 0.69 | — | — | |
| SCHEMBL10916991 | 0.67 | CYP4F2 (0.44) | — | |
| SCHEMBL5716496 | 0.67 | — | — | |
| SCHEMBL827636 | 0.67 | POLB (0.42) | — | |
| SCHEMBL6928359 | 0.67 | POLB (0.42) | — | |
| SCHEMBL6946769 | 0.67 | POLB (0.42) | — | |
| SCHEMBL22606338 | 0.66 | — | — | |
| SCHEMBL8951805 | 0.65 | CYP2C19 (0.31) | — |
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-103502216-B | As pesticide and acaricidal indole carboxamides and benzimidazole-carboxamide | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-05-04 | — | — | CN | claimed |
| CN-106211770-A | As chromene and the 1,1A of gamma secretase modulators, 2,7B tetrahydrochysene cyclopropane also [c] chromene pyrido-pyrazine diketone | 辉瑞公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-1039492-C | Herbicides | ZENECA LTD (GB) | 1998-08-12 | — | — | CN | disclosed |