⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16079390 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL276710 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL19736434 | 0.74 | — | — | |
| SCHEMBL13669535 | 0.73 | — | — | |
| SCHEMBL4268119 | 0.73 | — | — | |
| SCHEMBL15499154 | 0.73 | — | — | |
| SCHEMBL19204363 | 0.71 | — | — | |
| SCHEMBL13513566 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL3768661 | 0.71 | — | — | |
| SCHEMBL16077613 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017199228-A1 | PROCESS FOR PURIFICATION OF (R,R)-(1-ALKYL-2,2-DIMETHYLPROPYL)-(1-PHENYLALKYL)-AMINES | S & I OPHTHALMIC, LLC. (US) | 2017-11-23 | — | — | WO | disclosed |