⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9046168 | 0.76 | — | — | |
| SCHEMBL3736283 | 0.76 | — | — | |
| SCHEMBL11516038 | 0.74 | — | — | |
| SCHEMBL6085231 | 0.72 | — | — | |
| SCHEMBL6083215 | 0.72 | — | — | |
| SCHEMBL3675527 | 0.70 | — | — | |
| SCHEMBL10904527 | 0.70 | MAPT (0.50) | — | |
| SCHEMBL22207201 | 0.70 | MAPT (0.50) | — | |
| SCHEMBL3828057 | 0.70 | MAPT (0.50) | — | |
| SCHEMBL11517138 | 0.70 | MAPT (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5332730-A | Ocular hypotensive | ALLERGAN, INC. (US) | 1994-07-26 | — | — | US | claimed |
| US-5328933-A | Occular hypotensives | ALLERGAN, INC. (US) | 1994-07-12 | — | — | US | claimed |
| US-5312842-A | For treating ocular hypertension | ALLERGAN, INC. (US) | 1994-05-17 | — | — | US | claimed |
| WO-1994009788-A1 | CYCLOPENTANE HEPTENYLSULFINYLALKYL AND HEPTANYLSULFINYLALKYL-2-ALIPHATIC OR ARYL ALIPHATIC DERIVATIVES | ALLERGAN, INC. (US) | 1994-05-11 | — | — | WO | claimed |
| WO-1994010141-A1 | CYCLOPENTANE HEPTENYLNITRO AND HEPTANYLNITRO-2-ALIPHATIC OR ARYLALIPHATIC DERIVATIVES AND HOMOLOGOUS | ALLERGAN, INC. (US) | 1994-05-11 | — | — | WO | claimed |
| WO-1994008586-A2 | AZIDO DERIVATIVES OF CYCLOPENTANE HEPTANOIC OR HEPTENOIC ACID | ALLERGAN, INC. (US) | 1994-04-28 | — | — | WO | claimed |