⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL10782362 | 0.88 | — | — | |
| Pyridine SCHEMBL7388308 | 0.86 | TSHR (0.60) | — | |
| Pyridine SCHEMBL2550527 | 0.86 | — | — | |
| Pyridine SCHEMBL9037865 | 0.83 | TSHR (1.00) | — | |
| Pyridine SCHEMBL16 | 0.83 | — | — | |
| SCHEMBL3052767 | 0.83 | TSHR (1.00) | — | |
| Benzene SCHEMBL10751789 | 0.83 | TSHR (1.00) | — | |
| Benzene SCHEMBL1261317 | 0.83 | TSHR (1.00) | — | |
| Pyridine SCHEMBL933604 | 0.83 | TSHR (1.00) | — | |
| Pyridine SCHEMBL180431 | 0.83 | TSHR (1.00) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104086508-B | Nitrogenous heterocyclic 1,3,4-thiadiazoles amide derivatives and preparation and application | 贵州大学 | 2016-08-31 | — | — | CN | disclosed |
| EP-0738272-B1 | METHOD AND SEPARATION SUBSTRATE FOR ANALYSING MONONUCLEOTIDES AND OLIGONUCLEOTIDES | HYBRIDON INC (US) | 1997-11-05 | — | — | EP | disclosed |
| US-5627277-A | Method for analyzing oligonucleotide analogs | HYBRIDON, INC. (US) | 1997-05-06 | — | — | US | disclosed |
| EP-0738272-A1 | METHOD AND SEPARATION SUBSTRATE FOR ANALYSING MONONUCLEOTIDES AND OLIGONUCLEOTIDES | HYBRIDON, Inc. (US) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995018813-A1 | METHOD FOR ANALYZING OLIGONUCLEOTIDE ANALOGS | HYBRIDON, INC. (US) | 1995-07-13 | — | — | WO | disclosed |
| US-5420265-A | Oligonucleotides and nucleotides and substrates, then applying a current then detection | HYBRIDON, INC. (US) | 1995-05-30 | — | — | US | disclosed |