⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL609019 | 1.00 | — | — | |
| SCHEMBL11998923 | 1.00 | — | — | |
| SCHEMBL9161825 | 0.78 | HSD11B1 (0.32) | — | |
| SCHEMBL7387067 | 0.71 | PAK4 (0.34) | — | |
| SCHEMBL11998925 | 0.71 | PAK4 (0.34) | — | |
| SCHEMBL10486297 | 0.69 | — | — | |
| SCHEMBL2036749 | 0.69 | — | — | |
| SCHEMBL23175346 | 0.65 | — | — | |
| SCHEMBL17893249 | 0.65 | — | — | |
| SCHEMBL2277715 | 0.65 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3004302-B1 | ODORANT KETONES | FIRMENICH & CIE (CH) | 2017-01-04 | — | — | EP | disclosed |
| US-20160108341-A1 | ODORANT KETONES | FIRMENICH SA (CH) | 2016-04-21 | — | — | US | disclosed |
| EP-3004302-A1 | ODORANT KETONES | Firmenich SA (CH) | 2016-04-13 | — | — | EP | disclosed |
| US-20150038460-A1 | 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor | GENENTECH, INC. (US) | 2015-02-05 | — | — | US | disclosed |
| WO-2014191187-A1 | ODORANT KETONES | FIRMENICH SA (CH) | 2014-12-04 | — | — | WO | disclosed |
| US-8901313-B2 | 6,5-heterocyclic propargylic alcohol compounds and uses therefor | GENENTECH, INC. (US) | 2014-12-02 | — | — | US | disclosed |
| EP-2686314-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012123522-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |
| US-20120214762-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | GENENTECH, INC. (US) | 2012-08-23 | — | — | US | disclosed |
| EP-1375496-B1 | N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT | EISAI R&D MAN CO LTD (JP) | 2007-07-04 | — | — | EP | disclosed |
| US-7112593-B2 | N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient | EISAI CO., LTD. (JP) | 2006-09-26 | — | — | US | disclosed |
| US-20040072830-A1 | N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-04-15 | — | — | US | disclosed |
| EP-1375496-A1 | N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT | Eisai Co., Ltd. (JP) | 2004-01-02 | — | — | EP | disclosed |