⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4039141 | 0.56 | — | — | |
| SCHEMBL15564067 | 0.55 | — | — | |
| SCHEMBL9979781 | 0.47 | — | — | |
| SCHEMBL3836801 | 0.47 | — | — | |
| SCHEMBL3058655 | 0.46 | — | — | |
| SCHEMBL4584754 | 0.46 | — | — | |
| SCHEMBL31122749 | 0.42 | ALDH1A1 (0.33) | — | |
| SCHEMBL3265453 | 0.41 | — | — | |
| SCHEMBL23637798 | 0.36 | PIM1 (0.33) | — | |
| SCHEMBL24459 | 0.36 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011014516-A1 | ESTROGEN ANTAGONISTS AS TREATMENTS FOR SCLEROSING DISORDERS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2011-02-03 | — | — | WO | disclosed |
| US-4006172-A | CHROMIUM TRIOXIDE-PYRAZOLE COMPLEX AS OXIDIZER | THE UPJOHN COMPANY (US) | 1977-02-01 | — | — | US | disclosed |