⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL451379 | 0.76 | — | — | |
| SCHEMBL4502527 | 0.75 | — | — | |
| SCHEMBL4499356 | 0.71 | — | — | |
| SCHEMBL9959991 | 0.69 | IDO1 (0.39) | — | |
| SCHEMBL11575107 | 0.68 | — | — | |
| SCHEMBL27987095 | 0.67 | MAOB (0.31) | — | |
| SCHEMBL31561681 | 0.65 | — | — | |
| SCHEMBL29941261 | 0.65 | — | — | |
| SCHEMBL17766690 | 0.64 | GSK3A (0.36) | — | |
| SCHEMBL4499833 | 0.64 | — | — |
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-2635288-B1 | TREATMENT OF PITUITARY CORTICOTROPH TUMORS USING R-ROSCOVITINE | CEDARS SINAI MEDICAL CENTER (US) | 2015-07-29 | — | — | EP | disclosed |
| US-20130171073-A1 | TREATMENT OF PITUITARY CORTICOTROPH TUMORS USING R-ROSCOVITINE | CEDARS-SINAI MEDICAL CENTER (US) | 2013-07-04 | — | — | US | disclosed |