⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4017980 | 0.83 | — | — | |
| SCHEMBL5395365 | 0.77 | — | — | |
| SCHEMBL8095889 | 0.77 | — | — | |
| SCHEMBL19779433 | 0.75 | — | — | |
| SCHEMBL915046 | 0.70 | — | — | |
| SCHEMBL19719647 | 0.69 | HTR6 (0.31) | — | |
| SCHEMBL4017056 | 0.68 | — | — | |
| SCHEMBL10898583 | 0.68 | — | — | |
| SCHEMBL13370172 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL5708596 | 0.67 | CA1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024015251-A1 | INHIBITORS OF HPK1 AND METHODS OF USE THEREOF | ARCUS BIOSCIENCES, INC. (US) | 2024-01-18 | — | — | WO | disclosed |
| US-7598417-B2 | Analgesics; muscular disorders; diarrhea | ALLERGAN, INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-20080255239-A1 | SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS | ALLERGAN, INC. | 2008-10-16 | — | — | US | disclosed |