⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19608177 | 0.81 | — | — | |
| SCHEMBL3390589 | 0.81 | — | — | |
| SCHEMBL19604761 | 0.81 | — | — | |
| SCHEMBL1753716 | 0.77 | — | — | |
| SCHEMBL15468515 | 0.76 | NPC1 (0.32) | — | |
| SCHEMBL1639275 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL2090716 | 0.74 | CYP1A2 (0.33) | — | |
| SCHEMBL20119618 | 0.73 | LMNA (0.33) | — | |
| SCHEMBL841687 | 0.73 | — | — | |
| SCHEMBL11400000 | 0.73 | — | — |
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-9926292-B2 | Pyridinyl derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-27 | — | — | US | disclosed |
| US-20170327483-A1 | Pyridinyl derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-11-16 | — | — | US | disclosed |