⚠ 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 | |
|---|---|---|---|---|
| Carbon Dioxide SCHEMBL7624450 | 0.64 | ALDH1A1 (0.62) | — | |
| SCHEMBL132811 | 0.64 | — | — | |
| SCHEMBL7085373 | 0.61 | — | — | |
| SCHEMBL904403 | 0.61 | — | — | |
| SCHEMBL20597277 | 0.60 | — | — | |
| SCHEMBL6365840 | 0.58 | — | — | |
| SCHEMBL27406115 | 0.57 | — | — | |
| SCHEMBL983496 | 0.55 | — | — | |
| Carbon Dioxide SCHEMBL28777215 | 0.54 | — | — | |
| SCHEMBL18285 | 0.54 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0021695-B1 | NOVEL NONLINEAR OPTICAL MATERIALS AND PROCESSES EMPLOYING DIACETYLENES | UNIVERSITY PATENTS, INC. (US) | 1986-11-12 | — | — | EP | claimed |
| US-8303944-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-06 | — | — | US | disclosed |
| WO-2012036913-A2 | BIO-RENEWABLE PLASTICIZERS DERIVED FROM VEGETABLE OIL | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2012-03-22 | — | — | WO | disclosed |
| EP-0487095-B1 | Pyridyl derivatives, medicines containing these compounds and processes for their preparation | THOMAE GMBH DR K (DE) | 1996-02-28 | — | — | EP | disclosed |
| US-5286736-A | Thromboxane antagonists and thromboxane synthetase inhibitors | DR. KARL THOMAE GMBH (DE) | 1994-02-15 | — | — | US | disclosed |
| EP-0487095-A1 | Pyridyl derivatives, medicines containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1992-05-27 | — | — | EP | disclosed |
| US-4439566-A | Carbonate polymers containing a salt of a crown complex as an ignition depressant | THE DOW CHEMICAL COMPANY (US) | 1984-03-27 | — | — | US | disclosed |