⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2008887 | 0.77 | — | — | |
| SCHEMBL10944647 | 0.71 | — | — | |
| SCHEMBL11639100 | 0.69 | — | — | |
| SCHEMBL11640969 | 0.69 | — | — | |
| SCHEMBL3699870 | 0.69 | — | — | |
| SCHEMBL11637374 | 0.67 | — | — | |
| SCHEMBL7683430 | 0.65 | — | — | |
| SCHEMBL28308366 | 0.65 | — | — | |
| SCHEMBL11640096 | 0.64 | FFAR3 (0.36) | — | |
| SCHEMBL11638663 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0470469-B1 | 2-Oxa-3-alkoxy-7-hydroxy-bicyclo[2.2.1]heptanes | BASF AG (DE) | 1996-03-13 | — | — | EP | disclosed |
| EP-0398099-B1 | PROCESS FOR THE PRODUCTION OF CYCLOPENTANONES | BASF Aktiengesellschaft (DE) | 1993-09-22 | — | — | EP | disclosed |
| US-5166447-A | Preparation of cyclopentanones | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-24 | — | — | US | disclosed |
| EP-0470469-A1 | 2-Oxa-3-alkoxy-7-hydroxy-bicyclo[2.2.1]heptanes | BASF Aktiengesellschaft (DE) | 1992-02-12 | — | — | EP | disclosed |
| EP-0398099-A1 | Process for the production of cyclopentanones | BASF Aktiengesellschaft (DE) | 1990-11-22 | — | — | EP | disclosed |
| US-4525203-A | ((3,4,5,6-Tetrahydro-2H-pyran-2-yl)methoxy)oxabicycloalkane herbicides | SHELL OIL COMPANY (US) | 1985-06-25 | — | — | US | disclosed |
| US-4107289-A | Use of substituted pyrans as deodorant chemicals | NAARDEN INTERNATIONAL HOLLAND, B.V. (NL) | 1978-08-15 | — | — | US | disclosed |