⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL79140 | 1.00 | — | — | |
| SCHEMBL2346338 | 1.00 | — | — | |
| SCHEMBL5390016 | 0.98 | GLO1 (0.50) | — | |
| SCHEMBL10539079 | 0.98 | GLO1 (0.50) | — | |
| SCHEMBL5390019 | 0.98 | GLO1 (0.50) | — | |
| Sulfuric Acid SCHEMBL9812143 | 0.91 | GLO1 (0.45) | — | |
| Sulfuric Acid SCHEMBL10523508 | 0.89 | GLO1 (0.44) | — | |
| Sulfuric Acid SCHEMBL10825566 | 0.89 | GLO1 (0.44) | — | |
| SCHEMBL13934052 | 0.86 | GLO1 (0.48) | — | |
| SCHEMBL6274167 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY | 2016-01-21 | — | — | US | disclosed |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY | 2016-01-21 | — | — | US | disclosed |
| US-8865909-B2 | Anti-biofilm agents | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2014-10-21 | — | — | US | disclosed |
| WO-2004103998-A1 | QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-12-02 | — | — | WO | disclosed |