⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12633046 | 1.00 | — | — | |
| SCHEMBL19679559 | 1.00 | — | — | |
| SCHEMBL13222239 | 1.00 | — | — | |
| SCHEMBL13222251 | 1.00 | — | — | |
| SCHEMBL15433261 | 1.00 | — | — | |
| SCHEMBL13039924 | 1.00 | — | — | |
| SCHEMBL24228242 | 1.00 | — | — | |
| SCHEMBL4996253 | 1.00 | — | — | |
| SCHEMBL15433904 | 1.00 | — | — | |
| SCHEMBL15433905 | 1.00 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070231357-A1 | INSECT REPELLENT COMPOUND | HALLAHAN DAVID L | 2007-10-04 | — | — | US | disclosed |
| US-20070077262-A1 | Puleganic acid insect repellents | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-04-05 | — | — | US | disclosed |
| US-20070077263-A1 | N-Substituted or N,N-disubstituted-2-isopropyl-5-methylcyclopentanecarboxamides, e.g., N,N-diethyl- or N-benzyl-; useful as a topical treatment for skin, such as a repellant for insects and arthropods | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-04-05 | — | — | US | disclosed |