⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19134373 | 0.89 | — | — | |
| SCHEMBL28126279 | 0.88 | — | — | |
| SCHEMBL16609986 | 0.84 | — | — | |
| SCHEMBL16527098 | 0.81 | — | — | |
| SCHEMBL4056562 | 0.80 | — | — | |
| SCHEMBL28199911 | 0.80 | — | — | |
| SCHEMBL12978511 | 0.75 | CHRM3 (0.34) | — | |
| SCHEMBL14596688 | 0.74 | AKT1 (0.32) | — | |
| SCHEMBL16303761 | 0.74 | GSK3B (0.32) | — | |
| SCHEMBL29080196 | 0.71 | TP53 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1499306-A4 | BICYCLIC AMIDES | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | claimed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | claimed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | claimed |
| WO-2020132860-A1 | COMPOSITION FOR BRIGHTENING OR WHITENING KERATIN MATERIALS | L'OREAL (FR) | 2020-07-02 | — | — | WO | disclosed |
| WO-2020132856-A1 | COMPOSITION FOR BRIGHTENING OR WHITENING KERATIN MATERIALS | L'OREAL (FR) | 2020-07-02 | — | — | WO | disclosed |
| EP-2931724-B1 | PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS | PURDUE PHARMA LP (US) | 2017-01-25 | — | — | EP | disclosed |
| EP-1499306-A4 | BICYCLIC AMIDES | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | disclosed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |