⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL919532 | 0.77 | TLR4 (0.37) | — | |
| SCHEMBL1237594 | 0.75 | CYP2D6 (0.41) | — | |
| SCHEMBL1237574 | 0.73 | CYP2D6 (0.47) | — | |
| SCHEMBL7063108 | 0.72 | CYP2D6 (0.46) | — | |
| SCHEMBL6907464 | 0.72 | CYP2D6 (0.46) | — | |
| SCHEMBL6906656 | 0.72 | TLR4 (0.39) | — | |
| SCHEMBL9015175 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL13212040 | 0.68 | TP53 (0.32) | — | |
| SCHEMBL20502649 | 0.66 | CA1 (0.41) | — | |
| SCHEMBL3540533 | 0.66 | TLR4 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |