⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22787137 | 0.89 | LMNA (0.34) | — | |
| SCHEMBL12679101 | 0.86 | MAPT (0.42) | — | |
| SCHEMBL18037721 | 0.86 | MAPT (0.42) | — | |
| SCHEMBL17231868 | 0.86 | MAPT (0.42) | — | |
| SCHEMBL22787183 | 0.85 | KMT2A (0.32) | — | |
| SCHEMBL22787132 | 0.84 | LMNA (0.31) | — | |
| SCHEMBL21098757 | 0.83 | LMNA (0.42) | — | |
| SCHEMBL22787187 | 0.83 | KMT2A (0.35) | — | |
| SCHEMBL21052222 | 0.83 | LMNA (0.42) | — | |
| SCHEMBL22787188 | 0.82 | LMNA (0.35) | — |
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-20220267281-A1 | UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF | ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) | 2022-08-25 | — | — | US | disclosed |
| WO-2020248065-A1 | UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF | ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) | 2020-12-17 | — | — | WO | disclosed |