⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9912439 | 1.00 | — | — | |
| SCHEMBL9654807 | 1.00 | — | — | |
| SCHEMBL13751256 | 0.84 | HCAR2 (0.48) | — | |
| SCHEMBL11549448 | 0.82 | KDM4E (0.44) | — | |
| SCHEMBL28977493 | 0.82 | KDM4E (0.44) | — | |
| SCHEMBL11549444 | 0.82 | KDM4E (0.44) | — | |
| SCHEMBL13357377 | 0.81 | HCAR2 (0.40) | — | |
| SCHEMBL1291705 | 0.81 | HCAR2 (0.40) | — | |
| SCHEMBL1291704 | 0.81 | HCAR2 (0.40) | — | |
| SCHEMBL4434083 | 0.80 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2581077-A2 | Olfactory adaption and cross-adapting agents to reduce the perception of body odors | Symrise AG (DE) | 2013-04-17 | — | — | EP | disclosed |
| US-8211904-B2 | Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme Corp. (US) | 2012-07-03 | — | — | US | disclosed |
| EP-1910364-B1 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1910364-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| CN-1300270-C | Antifouling coating composition and novel resin | DAINIPPON INK & CHEMICALS (JP) | 2007-02-14 | — | — | CN | disclosed |
| US-20070021454-A1 | Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | MERCK SHARP & DOHME LLC | 2007-01-25 | — | — | US | disclosed |
| WO-2007011833-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |
| CN-1436223-A | Antifouling coating composition and novel resin | DAINIPPON INK & CHEMICALS (JP) | 2003-08-13 | — | — | CN | disclosed |
| EP-0446759-B1 | Process for the production of cyclopentenones | BASF AG (DE) | 1994-07-27 | — | — | EP | disclosed |
| US-5118864-A | PREPARATION OF CYCLOPENTENONES | BASF AKTIENGESELLSCHAFT (DE) | 1992-06-02 | — | — | US | disclosed |
| EP-0446759-A1 | Process for the production of cyclopentenones | BASF Aktiengesellschaft (DE) | 1991-09-18 | — | — | EP | disclosed |