⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16079350 | 0.82 | PAX8 (0.32) | — | |
| SCHEMBL9311266 | 0.82 | PAX8 (0.32) | — | |
| SCHEMBL16079417 | 0.82 | PAX8 (0.32) | — | |
| SCHEMBL16079421 | 0.82 | PAX8 (0.32) | — | |
| SCHEMBL16079420 | 0.63 | — | — | |
| SCHEMBL21563384 | 0.60 | CYP19A1 (0.40) | — | |
| SCHEMBL14818249 | 0.60 | CYP2D6 (0.31) | — | |
| SCHEMBL14123539 | 0.59 | — | — | |
| SCHEMBL1649438 | 0.58 | CYP2D6 (0.30) | — | |
| SCHEMBL1649440 | 0.58 | CYP2D6 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9101138-B2 | Methods and compositions utilizing lactams derived from camphor, verbenone or cat thyme oil for repelling blood-sucking and biting insects, ticks and mites | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 2015-08-11 | — | — | US | disclosed |
| US-20140275034-A1 | Methods and Compositions Utilizing Lactams Derived from Camphor, Verbenone or Cat Thyme Oil for Repelling Blood-Sucking and Biting Insects, Ticks and Mites | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE | 2014-09-18 | — | — | US | disclosed |