⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42886 | 1.00 | — | — | |
| SCHEMBL28531541 | 0.96 | — | — | |
| SCHEMBL10772019 | 0.81 | — | — | |
| SCHEMBL219662 | 0.79 | — | — | |
| SCHEMBL293816 | 0.78 | — | — | |
| SCHEMBL21722698 | 0.78 | — | — | |
| SCHEMBL27599035 | 0.78 | — | — | |
| SCHEMBL6588190 | 0.77 | — | — | |
| SCHEMBL10774823 | 0.77 | — | — | |
| SCHEMBL1119626 | 0.74 | TRPA1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011072064-A1 | S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-16 | — | — | WO | claimed |
| US-9072676-B2 | Cyclohexyl carbamate compounds as skin and/or hair lightening actives | SYMRISE AG (DE) | 2015-07-07 | — | — | US | disclosed |
| US-20130156710-A1 | CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES | SYMRISE AG (DE) | 2013-06-20 | — | — | US | disclosed |
| WO-2011072064-A1 | S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-16 | — | — | WO | disclosed |