⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8870785 | 0.89 | — | — | |
| SCHEMBL9536622 | 0.86 | — | — | |
| SCHEMBL9058095 | 0.75 | SIGMAR1 (0.34) | — | |
| SCHEMBL7516672 | 0.65 | CA2 (0.35) | — | |
| SCHEMBL9535947 | 0.63 | GBA1 (0.30) | — | |
| SCHEMBL7511000 | 0.62 | — | — | |
| SCHEMBL27905402 | 0.54 | FFAR4 (0.33) | — | |
| SCHEMBL8556928 | 0.53 | ALDH1A1 (0.39) | — | |
| SCHEMBL1074128 | 0.53 | — | — | |
| SCHEMBL17729448 | 0.53 | SLC6A2 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5679670-A | CONTROLLING INTRAOCULAR PRESSURE | ALCON LABORATORIES, INC. (US) | 1997-10-21 | — | — | US | disclosed |
| US-5378703-A | FOR CONTROLLING INTRAOCULAR PRESSURE | ALCON LABORATORIES, INC. (US) | 1995-01-03 | — | — | US | disclosed |
| US-5240923-A | Treating glaucoma | ALCON LABORATORIES, INC. (US) | 1993-08-31 | — | — | US | disclosed |