⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9901984 | 0.71 | — | — | |
| SCHEMBL7275748 | 0.59 | — | — | |
| SCHEMBL49151 | 0.53 | — | — | |
| SCHEMBL13407 | 0.53 | — | — | |
| SCHEMBL6448080 | 0.48 | — | — | |
| SCHEMBL157324 | 0.45 | MGLL (0.50) | — | |
| Benzoquinone SCHEMBL10506648 | 0.44 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL18103 | 0.44 | — | — | |
| Benzoquinone SCHEMBL460082 | 0.44 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL5308519 | 0.44 | ALDH1A1 (1.00) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| EP-1416933-B8 | SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEN INC (US) | 2008-08-27 | — | — | EP | disclosed |
| EP-1416933-B1 | SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEM INC (US) | 2008-01-02 | — | — | EP | disclosed |
| US-6977264-B2 | Substituted piperidines and methods of use | AMGEN INC. (US) | 2005-12-20 | — | — | US | disclosed |
| EP-1416933-A1 | SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | Amgem, Inc. (US) | 2004-05-12 | — | — | EP | disclosed |
| US-RE38132-E1 | Phenylpyrrolidines, phenylimidazolidines,3-phenyl-1,3-oxizolidines and 3-phenyl-1,3-thiazolidines and their use in the treatment of inflammatory disease | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-06-03 | — | — | US | disclosed |
| WO-2003009847-A1 | SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEM, INC. (US) | 2003-02-06 | — | — | WO | disclosed |
| US-4560508-A | BETA-LACTAMASE INHIBITORS, ANINICROBIAL AGENT, CHEMICAL INTERMEDIATE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-12-24 | — | — | US | disclosed |