⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16534886 | 0.72 | — | — | |
| SCHEMBL1285572 | 0.69 | CHRM2 (0.38) | — | |
| SCHEMBL10619687 | 0.67 | EPHX2 (0.30) | — | |
| SCHEMBL6563899 | 0.67 | — | — | |
| SCHEMBL1285256 | 0.66 | EPHX2 (0.30) | — | |
| SCHEMBL8337941 | 0.65 | — | — | |
| SCHEMBL12807091 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL24059815 | 0.64 | SLC6A12 (0.38) | — | |
| SCHEMBL7933488 | 0.63 | APLNR (0.38) | — | |
| SCHEMBL8339871 | 0.62 | EPHX2 (0.34) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8415391-B2 | 3.2.1-bicyclo-octene and -octane compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-04-09 | — | — | US | disclosed |
| US-8415391-B2 | 3.2.1-bicyclo-octene and -octane compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-04-09 | — | — | US | disclosed |
| US-8415391-B2 | 3.2.1-bicyclo-octene and -octane compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-04-09 | — | — | US | disclosed |
| US-8357357-B2 | 3.2.1-bicyclo-octene and -octane compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-01-22 | — | — | US | disclosed |
| US-8357357-B2 | 3.2.1-bicyclo-octene and -octane compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-01-22 | — | — | US | disclosed |
| US-8357357-B2 | 3.2.1-bicyclo-octene and -octane compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-01-22 | — | — | US | disclosed |
| US-20120087884-A1 | NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2012-04-12 | — | — | US | disclosed |
| US-20120087884-A1 | NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2012-04-12 | — | — | US | disclosed |
| US-20120087886-A1 | NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2012-04-12 | — | — | US | disclosed |
| US-20120087886-A1 | NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2012-04-12 | — | — | US | disclosed |
| US-20120087886-A1 | NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2012-04-12 | — | — | US | disclosed |
| US-20120087884-A1 | NOVEL 3.2.1-BICYCLO-OCTENE AND -OCTANE COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2012-04-12 | — | — | US | disclosed |
| US-8071529-B1 | 3.2.1-bicyclo-octene and -octane compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8071529-B1 | 3.2.1-bicyclo-octene and -octane compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8071529-B1 | 3.2.1-bicyclo-octene and -octane compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2011-12-06 | — | — | US | disclosed |