⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7511928 | 1.00 | — | — | |
| SCHEMBL8671901 | 1.00 | — | — | |
| SCHEMBL7517050 | 0.93 | — | — | |
| SCHEMBL8670934 | 0.93 | — | — | |
| SCHEMBL8670432 | 0.89 | SOAT1 (0.37) | — | |
| SCHEMBL7517738 | 0.89 | TBXA2R (0.42) | — | |
| SCHEMBL7517233 | 0.89 | SOAT1 (0.37) | — | |
| SCHEMBL11781284 | 0.88 | — | — | |
| SCHEMBL11659517 | 0.88 | — | — | |
| SCHEMBL9179064 | 0.85 | CNR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5552434-A | 7-(5-substituted cyclopentyl) and (5-substituted cyclopentenyl) heptyl alcohols, heptylamines and heptanoic acid amides, and method of lowering intraocular pressure in the eye of a mammal by administration of these compounds | ALLERGAN (US) | 1996-09-03 | — | — | US | disclosed |