⚠ 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 | |
|---|---|---|---|---|
| Nonabine SCHEMBL2111682 | 0.71 | KDR (0.32) | — | |
| SCHEMBL17414514 | 0.71 | KDR (0.33) | — | |
| SCHEMBL11819864 | 0.60 | AAK1 (0.37) | — | |
| SCHEMBL9285694 | 0.59 | CNR2 (0.45) | — | |
| SCHEMBL24919761 | 0.59 | MAPT (0.41) | — | |
| SCHEMBL11711483 | 0.58 | RPS6KA3 (0.41) | — | |
| SCHEMBL24920240 | 0.58 | SLC6A2 (0.44) | — | |
| SCHEMBL68774 | 0.57 | ADRB2 (0.54) | — | |
| SCHEMBL9663065 | 0.57 | MAPT (0.45) | — | |
| SCHEMBL11831177 | 0.56 | ADRB2 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3473630-B1 | BORON-BASED PRODRUG STRATEGY FOR INCREASED BIOAVAILABILITY AND LOWER-DOSAGE REQUIREMENTS FOR DRUG MOLECULES CONTAINING AT LEAST ONE PHENOL (OR AROMATIC HYDROXYL) GROUP | XAVIER UNIV OF LOUISIANA (US) | 2021-01-13 | — | — | EP | disclosed |