⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19966103 | 1.00 | FDPS (0.35) | — | |
| SCHEMBL298651 | 1.00 | — | — | |
| SCHEMBL19966128 | 1.00 | FDPS (0.35) | — | |
| SCHEMBL19965984 | 1.00 | FDPS (0.35) | — | |
| SCHEMBL19966106 | 1.00 | FDPS (0.35) | — | |
| Hydrochloric Acid SCHEMBL11326042 | 0.97 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL23183148 | 0.97 | — | — | |
| SCHEMBL10704852 | 0.97 | — | — | |
| SCHEMBL20900954 | 0.90 | — | — | |
| SCHEMBL15260444 | 0.83 | CYP2D6 (0.32) | — |
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-20230373934-A1 | ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE | ESSA PHARMA INC. (CA) | 2023-11-23 | — | — | US | disclosed |
| US-20170166583-A1 | ESTER ACC INHIBITORS AND USES THEREOF | Nimbus Apollo, Inc. | 2017-06-15 | — | — | US | disclosed |