⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20998501 | 0.82 | — | — | |
| SCHEMBL21028315 | 0.75 | FDPS (0.32) | — | |
| SCHEMBL16349911 | 0.73 | MAPK1 (0.32) | — | |
| SCHEMBL16144751 | 0.72 | — | — | |
| SCHEMBL15721265 | 0.71 | OPRM1 (0.31) | — | |
| SCHEMBL19475932 | 0.71 | FDPS (0.30) | — | |
| SCHEMBL3194507 | 0.71 | FDPS (0.36) | — | |
| SCHEMBL6483061 | 0.71 | — | — | |
| SCHEMBL23101970 | 0.70 | — | — | |
| SCHEMBL21104978 | 0.70 | — | — |
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-20170204223-A1 | POLYALKOXY-POLYIMINE ADDUCTS FOR USE IN DELAYED RELEASE OF FRAGRANCE INGREDIENTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2017-07-20 | — | — | US | disclosed |
| US-20150299166-A1 | DEUTERATED ALK INHIBITORS | CONCERT PHARMACEUTICALS INC (US) | 2015-10-22 | — | — | US | disclosed |