⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18270398 | 0.82 | HRH3 (0.30) | — | |
| SCHEMBL22388006 | 0.79 | — | — | |
| SCHEMBL19276606 | 0.75 | — | — | |
| SCHEMBL18849664 | 0.74 | — | — | |
| SCHEMBL18849837 | 0.73 | — | — | |
| SCHEMBL23961360 | 0.72 | HRH3 (0.35) | — | |
| SCHEMBL23103575 | 0.71 | CHRM2 (0.35) | — | |
| SCHEMBL25481364 | 0.71 | — | — | |
| SCHEMBL24337673 | 0.70 | SHBG (0.36) | — | |
| SCHEMBL20757582 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180162861-A1 | TYROSINE KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2018-06-14 | — | — | US | disclosed |