⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5139910 | 0.74 | — | — | |
| SCHEMBL10000892 | 0.71 | — | — | |
| SCHEMBL8805521 | 0.71 | — | — | |
| SCHEMBL28216701 | 0.69 | — | — | |
| SCHEMBL8082533 | 0.69 | — | — | |
| SCHEMBL262787 | 0.69 | — | — | |
| SCHEMBL2148358 | 0.69 | — | — | |
| SCHEMBL6730254 | 0.69 | — | — | |
| SCHEMBL12162728 | 0.67 | — | — | |
| SCHEMBL834515 | 0.67 | — | — |
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-1995008990-A1 | INCREASING AQUEOUS HUMOR OUTFLOW | ALLERGAN, INC. (US) | 1995-04-06 | — | — | WO | claimed |
| WO-1995008990-A1 | INCREASING AQUEOUS HUMOR OUTFLOW | ALLERGAN, INC. (US) | 1995-04-06 | — | — | WO | disclosed |