⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4267065 | 0.87 | PDPK1 (0.35) | — | |
| SCHEMBL6793842 | 0.79 | DRD2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6791821 | 0.78 | PDPK1 (0.35) | — | |
| SCHEMBL6793304 | 0.73 | KDM4C (0.37) | — | |
| SCHEMBL6798659 | 0.64 | SIGMAR1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL6799023 | 0.63 | PDPK1 (0.35) | — | |
| SCHEMBL6793189 | 0.63 | CDK2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6788723 | 0.63 | PDPK1 (0.37) | — | |
| SCHEMBL7339046 | 0.63 | AGTR1 (0.37) | — | |
| SCHEMBL7339826 | 0.63 | AGTR1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011041784-A1 | METHODS FOR DIAGNOSING AND TREATING CANCER | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-04-07 | — | — | WO | disclosed |