⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL217214 | 0.76 | CTSK (0.36) | — | |
| SCHEMBL216659 | 0.76 | — | — | |
| SCHEMBL10953079 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL215363 | 0.75 | CTSK (0.36) | — | |
| SCHEMBL12038606 | 0.74 | MAPK1 (0.50) | — | |
| SCHEMBL5255518 | 0.74 | MAPK1 (0.50) | — | |
| SCHEMBL215483 | 0.73 | CTSK (0.32) | — | |
| SCHEMBL27959577 | 0.71 | MAPK1 (0.32) | — | |
| SCHEMBL27805444 | 0.69 | — | — | |
| SCHEMBL10950417 | 0.69 | MAPK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088725-B2 | Fragrance compositions and compounds | GIVAUDAN NEDERLAND SERVICES B.V. (NL) | 2012-01-03 | — | — | US | disclosed |
| US-20100132249-A1 | Fragrance Compositions and Compounds | GIVAUDAN NEDERLAND SERVICES B.V. (NL) | 2010-06-03 | — | — | US | disclosed |