⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL268470 | 0.68 | KMT2A (0.61) | — | |
| SCHEMBL10630436 | 0.68 | MAPT (0.61) | — | |
| SCHEMBL18827249 | 0.63 | — | — | |
| SCHEMBL8029443 | 0.61 | ALOX5 (0.41) | — | |
| SCHEMBL13563423 | 0.61 | DRD2 (0.41) | — | |
| SCHEMBL2632719 | 0.59 | ALDH1A1 (0.68) | — | |
| SCHEMBL5707893 | 0.59 | TOP2A (0.48) | — | |
| SCHEMBL31147144 | 0.59 | DRD2 (0.34) | — | |
| SCHEMBL11681717 | 0.59 | — | — | |
| SCHEMBL28547061 | 0.59 | — | — |
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-20230227461-A1 | SELECTIVE CDK4/6 INHIBITOR CANCER THERAPEUTICS | LUNELLA BIOTECH, INC. (CA) | 2023-07-20 | — | — | US | disclosed |
| US-9682939-B2 | Compositions and methods for modulating farnesoid X receptors | NOVARTIS AG (CH) | 2017-06-20 | — | — | US | disclosed |