⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1329 | 0.87 | — | — | |
| SCHEMBL145655 | 0.87 | — | — | |
| SCHEMBL994280 | 0.87 | — | — | |
| SCHEMBL993345 | 0.87 | — | — | |
| SCHEMBL14484392 | 0.82 | — | — | |
| Water SCHEMBL27518593 | 0.82 | — | — | |
| SCHEMBL27611825 | 0.82 | — | — | |
| Iodide SCHEMBL28792349 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL4489746 | 0.82 | — | — | |
| SCHEMBL28261206 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012145522-A2 | DEEP EUTECTIC SOLVENT SYSTEMS AND METHODS | GEORGIA TECH RESEARCH CORPORATION (US) | 2012-10-26 | — | — | WO | disclosed |
| US-20120046461-A1 | STEROIDAL ANTI-HORMONE HYBRIDS | NORTHEASTERN UNIVERSITY (US) | 2012-02-23 | — | — | US | disclosed |
| WO-2010085747-A1 | STEROIDAL ANTI-HORMONE HYBRIDS | NORTHEASTERN UNIVERSITY (US) | 2010-07-29 | — | — | WO | disclosed |
| US-3953454-A | N-(D-6-methyl-8-isoergoline-I-yl)-N',N'-diethylurea | SPOFA, UNITED PHARMECEUTICAL WORKS (CS) | 1976-04-27 | — | — | US | disclosed |