⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15638746 | 0.97 | — | — | |
| SCHEMBL5747057 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL7050138 | 0.90 | OPRM1 (0.48) | — | |
| SCHEMBL15283889 | 0.90 | OPRM1 (0.48) | — | |
| SCHEMBL15283891 | 0.90 | OPRM1 (0.48) | — | |
| SCHEMBL4424280 | 0.90 | OPRM1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL7047134 | 0.88 | OPRM1 (0.46) | — | |
| SCHEMBL10386777 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL29260331 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL8620243 | 0.81 | SAT1 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996022962-A9 | BUTYRYL-TYROSINYL SPERMINE, ANALOGS THEREOF AND METHODS OF PREPARING AND USING SAME | — | 1996-10-03 | — | — | WO | disclosed |
| WO-1996022962-A1 | BUTYRYL-TYROSINYL SPERMINE, ANALOGS THEREOF AND METHODS OF PREPARING AND USING SAME | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1996-08-01 | — | — | WO | disclosed |
| US-4622368-A | Plasticized polyetherimide blends | GENERAL ELECTRIC COMPANY (US) | 1986-11-11 | — | — | US | disclosed |