⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27769780 | 0.82 | GABRA1 (0.38) | — | |
| SCHEMBL27769772 | 0.80 | NR3C1 (0.46) | — | |
| SCHEMBL27757437 | 0.79 | NR3C1 (0.34) | — | |
| SCHEMBL27748383 | 0.77 | NR3C1 (0.46) | — | |
| SCHEMBL27748398 | 0.77 | NR3C1 (0.50) | — | |
| SCHEMBL27748405 | 0.76 | NR3C1 (0.49) | — | |
| SCHEMBL27754152 | 0.76 | NR3C1 (0.38) | — | |
| SCHEMBL27754162 | 0.75 | NR3C1 (0.56) | — | |
| SCHEMBL27754133 | 0.74 | NR3C1 (0.38) | — | |
| SCHEMBL27774926 | 0.74 | NR3C1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101484187-A | Composition comprising dissociated glucocorticoid receptor agonist and immunosuppressant for treating dry eye | BAUCH & LOMB INC (US) | 2009-07-15 | — | — | CN | disclosed |