⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20182898 | 1.00 | — | — | |
| SCHEMBL464667 | 1.00 | — | — | |
| SCHEMBL16841705 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL24456723 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL8069745 | 0.84 | ALDH1A1 (0.39) | — | |
| SCHEMBL1352439 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL20707212 | 0.81 | KDM4E (0.43) | — | |
| SCHEMBL12138460 | 0.78 | — | — | |
| SCHEMBL1352156 | 0.78 | CYP1A2 (0.45) | — | |
| SCHEMBL21401130 | 0.76 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230133132-A1 | NAMPT MODULATORS | CYTOKINETICS, INC. | 2023-05-04 | — | — | US | disclosed |
| WO-2022106857-A1 | MALT-1 MODULATORS | Exscientia Limited (GB) | 2022-05-27 | — | — | WO | disclosed |
| WO-2018093576-A1 | ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-24 | — | — | WO | disclosed |