⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11737132 | 0.70 | — | — | |
| SCHEMBL21859352 | 0.70 | — | — | |
| SCHEMBL21859417 | 0.67 | INMT (0.56) | — | |
| SCHEMBL13684180 | 0.65 | INMT (0.54) | — | |
| SCHEMBL25002114 | 0.63 | INMT (0.50) | — | |
| SCHEMBL25002104 | 0.63 | NOS1 (0.60) | — | |
| SCHEMBL25001981 | 0.61 | SIGMAR1 (0.50) | — | |
| SCHEMBL10975928 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL15532176 | 0.58 | — | — | |
| SCHEMBL11755346 | 0.56 | INMT (0.39) | — |
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-10844044-B2 | WDR5 inhibitors and modulators | VANDERBILT UNIVERSITY (US) | 2020-11-24 | — | — | US | disclosed |