⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9676818 | 0.82 | — | — | |
| SCHEMBL4398471 | 0.79 | PTPN1 (0.31) | — | |
| SCHEMBL5454723 | 0.71 | — | — | |
| SCHEMBL8421538 | 0.71 | — | — | |
| SCHEMBL502946 | 0.70 | — | — | |
| SCHEMBL13196216 | 0.70 | — | — | |
| SCHEMBL1646118 | 0.70 | — | — | |
| SCHEMBL1111513 | 0.69 | — | — | |
| SCHEMBL11070794 | 0.68 | — | — | |
| SCHEMBL7946821 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0487718-B1 | NUCLEIC ACID PROBES with negatively charged haptens which are attached to the probe via a hydrazine binding moiety | BECKMAN INSTRUMENTS INC (US) | 1997-11-05 | — | — | EP | claimed |
| US-5552541-A | Haptenic probes for detecting capture polynucleotides | BECKMAN INSTRUMENTS, INC. (US) | 1996-09-03 | — | — | US | claimed |
| US-5173500-A | Inhibiting thrombocyte aggregation | BOEHRINGER MANNHEIM GMBH (DE) | 1992-12-22 | — | — | US | disclosed |
| US-5037990-A | Antagonist, antagonism, bronchodilator; antiischemic agents, treatment of cardiovascular disorder, kidney dialysis; and antiulcer agent | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |
| US-3985809-A | OXIDATION BY MANGANIC ALUM OF P-METHOXYTOLUENE | OXY METAL INDUSTRIES CORPORATION (US) | 1976-10-12 | — | — | US | disclosed |