⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15131263 | 0.74 | — | — | |
| SCHEMBL17580800 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL20089278 | 0.73 | — | — | |
| SCHEMBL395923 | 0.68 | — | — | |
| SCHEMBL4947043 | 0.64 | — | — | |
| SCHEMBL20634635 | 0.64 | CYP2D6 (0.33) | — | |
| SCHEMBL20633946 | 0.64 | CYP2D6 (0.33) | — | |
| SCHEMBL8382015 | 0.64 | — | — | |
| SCHEMBL8092736 | 0.62 | — | — | |
| SCHEMBL15125415 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180111889-A1 | METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES | BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) | 2018-04-26 | — | — | US | disclosed |