⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18960 | 0.96 | — | — | |
| SCHEMBL656963 | 0.96 | CHRNA7 (0.33) | — | |
| Water SCHEMBL1542414 | 0.92 | CHRNA7 (0.32) | — | |
| Bromide SCHEMBL8149787 | 0.92 | CHRNA7 (0.32) | — | |
| SCHEMBL6735678 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL2962579 | 0.92 | CHRNA7 (0.32) | — | |
| SCHEMBL9232705 | 0.92 | — | — | |
| Charcoal, Activated SCHEMBL230089 | 0.92 | — | — | |
| SCHEMBL9349701 | 0.92 | CHRNA7 (0.32) | — | |
| Fluoride Ion SCHEMBL9318179 | 0.88 | CHRNA7 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1596241-A | Process for the preparation of 6 alpha-fluorocorticosteroids | TARO PHARMA IND (US) | 2005-03-16 | — | — | CN | claimed |
| CN-1596241-A | Process for the preparation of 6 alpha-fluorocorticosteroids | TARO PHARMA IND (US) | 2005-03-16 | — | — | CN | disclosed |
| US-5672556-A | OXIDATION CATALYSTS | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) | 1997-09-30 | — | — | US | disclosed |