⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL5832209 | 1.00 | LMNA (0.46) | — | |
| Isopropyl Alcohol SCHEMBL28393313 | 0.96 | LMNA (0.43) | — | |
| Isopropyl Alcohol SCHEMBL28370731 | 0.89 | DNM1 (0.57) | — | |
| Isopropyl Alcohol SCHEMBL7102704 | 0.84 | ALDH1A1 (0.55) | — | |
| Isopropyl Alcohol SCHEMBL8501608 | 0.84 | — | — | |
| Butylamine SCHEMBL8408315 | 0.81 | DNM1 (0.50) | — | |
| Isopropyl Alcohol SCHEMBL9170355 | 0.81 | TRPV1 (0.36) | — | |
| SCHEMBL29092417 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL19923344 | 0.80 | ALDH1A1 (0.50) | — | |
| Dodecylamine SCHEMBL8637979 | 0.78 | DNM1 (0.72) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1153908-B1 | Method for producing 1-menthol | TAKASAGO PERFUMERY CO LTD (JP) | 2005-08-24 | — | — | EP | disclosed |
| US-6342644-B1 | MULTISTAGE PROCESS OF HYDROGENATION WITH PHOSPHINE COMPLEX | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2002-01-29 | — | — | US | disclosed |
| US-20020007094-A1 | Method for producing 1-menthol | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2002-01-17 | — | — | US | disclosed |
| EP-1153908-A2 | Method for producing 1-menthol | Takasago International Corporation (JP) | 2001-11-14 | — | — | EP | disclosed |