⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6902939 | 0.78 | — | — | |
| SCHEMBL6905772 | 0.75 | — | — | |
| SCHEMBL6910386 | 0.72 | NPC1 (0.32) | — | |
| SCHEMBL6906410 | 0.72 | — | — | |
| SCHEMBL2344673 | 0.71 | — | — | |
| SCHEMBL18588306 | 0.71 | — | — | |
| SCHEMBL14007681 | 0.71 | — | — | |
| SCHEMBL6909145 | 0.70 | — | — | |
| SCHEMBL6908697 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL6909138 | 0.70 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020143070-A1 | Noxious-insect repellent | KANEBO, LTD. | 2002-10-03 | — | — | US | claimed |
| JP-7118193-A | — | — | None | — | — | JP | disclosed |
| JP-7118193-A | — | — | None | — | — | JP | disclosed |
| US-20040091515-A1 | Noxious-insect repellent | KANEBO, LTD. | 2004-05-13 | — | — | US | disclosed |
| US-6686396-B2 | NO OFFENSIVE ODOR AND EXHIBIT EXCELLENT NOXIOUS-INSECT REPELLING EFFECT AND DURABILITY | KANEBO, LTD. (JP) | 2004-02-03 | — | — | US | disclosed |
| US-6677384-B1 | CARBOCYCLIC ALCOHOLS SUCH AS 2-HYDROXYMETHYL-3,3,5-TRIMETHYL-CYCLOHEXANOL USED AS ODORLESS, DURABLE LOTIONS TO PREVENT DISEASES | KANEBO, LTD. (JP) | 2004-01-13 | — | — | US | disclosed |
| US-20020143070-A1 | Noxious-insect repellent | KANEBO, LTD. | 2002-10-03 | — | — | US | disclosed |
| US-6372804-B1 | HYDROXYALKYLCYCLOALKANOLS REPELLENTS | KANEBO, LTD. (JP) | 2002-04-16 | — | — | US | disclosed |
| US-6130255-A | EXPOSING NOXIOUS INSECTS TO REPELLENT COMPRISING 2-(1-HYDROXYALKYL)-CYCLOALKANOLS HAVING NO OFFENSIVE ODOR | KAO CORPORATION (JP) | 2000-10-10 | — | — | US | disclosed |
| JP-H07118193-A | 2-(1-HYDROXYISOPROPYL)-5-METHYLCYCLOPENTANONE AND PEST REPELLENT | KANEBO LTD | 1995-05-09 | — | — | JP | disclosed |
| JP-H07118193-A | 2-(1-HYDROXYISOPROPYL)-5-METHYLCYCLOPENTANONE AND PEST REPELLENT | KANEBO LTD | 1995-05-09 | — | — | JP | disclosed |