⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7024592 | 0.85 | — | — | |
| SCHEMBL7018022 | 0.75 | LCK (0.43) | — | |
| SCHEMBL7018015 | 0.75 | LCK (0.43) | — | |
| SCHEMBL28068225 | 0.73 | MAPT (0.45) | — | |
| SCHEMBL7017717 | 0.70 | MAP3K14 (0.38) | — | |
| SCHEMBL28068213 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL17220862 | 0.67 | — | — | |
| SCHEMBL1548017 | 0.67 | — | — | |
| SCHEMBL7625024 | 0.67 | — | — | |
| SCHEMBL16139311 | 0.66 | DNM2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1206265-B1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2003-11-12 | — | — | EP | disclosed |
| US-6498165-B1 | PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |