⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7947719 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL7942798 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL7942809 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL19261734 | 0.72 | — | — | |
| SCHEMBL19261683 | 0.72 | — | — | |
| SCHEMBL17864795 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL14327682 | 0.69 | TRPA1 (0.31) | — | |
| SCHEMBL25421296 | 0.67 | — | — | |
| SCHEMBL16784746 | 0.67 | — | — | |
| SCHEMBL3225204 | 0.67 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1311231-B1 | AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE | HENKEL KGAA (DE) | 2006-11-22 | — | — | EP | claimed |
| EP-1311231-A1 | AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-05-21 | — | — | EP | claimed |
| WO-2001097762-A1 | AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-12-27 | — | — | WO | claimed |
| US-20120136176-A1 | CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2012-05-31 | — | — | US | disclosed |
| US-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20090247770-A1 | PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS | MSD K.K. (JP) | 2009-10-01 | — | — | US | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | US | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | US | disclosed |
| EP-1311231-B1 | AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE | HENKEL KGAA (DE) | 2006-11-22 | — | — | EP | disclosed |
| EP-1704136-A1 | GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005073158-A1 | GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2005-08-11 | — | — | WO | disclosed |
| EP-1311231-A1 | AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-05-21 | — | — | EP | disclosed |
| WO-2001097762-A1 | AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-12-27 | — | — | WO | disclosed |
| US-6215031-B1 | REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-10 | — | — | US | disclosed |
| US-6100430-A | ALICYCLIC COMPOUND CONTAINING TWO PRIMARY, SECONDARY AND/OR TERTIARY AMINO GROUPS AND HAVING A CARBON ATOM IN THE RING SUBSTITUTED WITH TWO ALKYL GROUPS; MAKING BY REDUCTIVE AMINATION OF A 3-FORMYLCYCLOALKENONE OR 3-FORMYLCYCLOALKANONE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0976723-A2 | A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition | Daicel Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |
| EP-0895984-A1 | ALICYCLIC POLYAMINES AND PROCESS FOR THE PREPARATION THEREOF | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-10 | — | — | EP | disclosed |
| EP-0895980-A1 | 3-HYDROXYMETHYLCYCLOALKANOLS AND PROCESS FOR PRODUCING THEM | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-10 | — | — | EP | disclosed |