⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21777802 | 0.86 | — | — | |
| SCHEMBL23935778 | 0.64 | — | — | |
| SCHEMBL19872228 | 0.61 | EPAS1 (0.35) | — | |
| SCHEMBL21777971 | 0.60 | KDM4E (0.41) | — | |
| SCHEMBL17802112 | 0.58 | CYP11B1 (0.31) | — | |
| SCHEMBL15311943 | 0.57 | CYP11B1 (0.48) | — | |
| SCHEMBL31124890 | 0.55 | CYP11B1 (0.50) | — | |
| SCHEMBL14799644 | 0.55 | CYP11B1 (0.50) | — | |
| SCHEMBL24708679 | 0.53 | — | — | |
| SCHEMBL21777868 | 0.53 | ALOX15 (0.34) | — |
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-2020047207-A1 | INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN | MORPHIC THERAPEUTICS, INC. (US) | 2020-03-05 | — | — | WO | disclosed |