⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22692592 | 0.70 | — | — | |
| Bromide SCHEMBL11737132 | 0.65 | — | — | |
| SCHEMBL21859417 | 0.62 | INMT (0.56) | — | |
| SCHEMBL13684180 | 0.61 | INMT (0.54) | — | |
| SCHEMBL10975928 | 0.56 | — | — | |
| SCHEMBL9681470 | 0.56 | — | — | |
| SCHEMBL18596715 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL15532176 | 0.54 | — | — | |
| SCHEMBL11755346 | 0.52 | INMT (0.39) | — | |
| SCHEMBL11036759 | 0.52 | — | — |
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-10844044-B2 | WDR5 inhibitors and modulators | VANDERBILT UNIVERSITY (US) | 2020-11-24 | — | — | US | disclosed |
| US-20200102288-A1 | WDR5 INHIBITORS AND MODULATORS | VANDERBILT UNIVERSITY | 2020-04-02 | — | — | US | disclosed |