⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16892788 | 0.98 | ROCK2 (0.31) | — | |
| SCHEMBL7929660 | 0.86 | — | — | |
| SCHEMBL15874755 | 0.84 | — | — | |
| SCHEMBL4721538 | 0.69 | CYP1B1 (0.32) | — | |
| SCHEMBL3249937 | 0.68 | CYP1B1 (0.34) | — | |
| SCHEMBL356683 | 0.67 | CYP3A4 (0.42) | — | |
| SCHEMBL234550 | 0.67 | CYP3A4 (0.42) | — | |
| SCHEMBL28088412 | 0.67 | — | — | |
| SCHEMBL4721678 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL29527587 | 0.66 | ROCK2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0829463-B2 | Process for preparing an (E)-(R)-2-alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol | TAKASAGO PERFUMERY CO LTD (JP) | 2008-11-05 | — | — | EP | disclosed |
| US-20030105341-A1 | Process for producing optically active gamma-butyrolactone | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2003-06-05 | — | — | US | disclosed |
| EP-0829463-B1 | (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions | TAKASAGO PERFUMERY CO LTD (JP) | 2001-12-19 | — | — | EP | disclosed |
| US-6084138-A | CATALYST SELECTIVE AND STEREOSPECIFIC REDUCTION OF CORRESPONDING ALDEHYDE IN THE PRESENCE OF A RUTHENIUM-PHOSPHINE COMPLEX CATALYST, AN ALKALI OR ALKALINE EARTH METAL BASE AND AN AMINE | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2000-07-04 | — | — | US | disclosed |
| US-5994291-A | (E)-(R)-2-alkyl-4-(2,2,3,-Trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof | TAKASAGO INTERNATIONAL COPORATION (JP) | 1999-11-30 | — | — | US | disclosed |
| EP-0829463-A2 | (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions | Takasago International Corporation (JP) | 1998-03-18 | — | — | EP | disclosed |