⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6439450 | 0.65 | — | — | |
| SCHEMBL12994478 | 0.60 | — | — | |
| SCHEMBL30977053 | 0.60 | — | — | |
| SCHEMBL8583474 | 0.60 | — | — | |
| SCHEMBL1845346 | 0.60 | — | — | |
| SCHEMBL11322368 | 0.48 | — | — | |
| Pyridazine SCHEMBL5104 | 0.47 | — | — | |
| Pyridazine SCHEMBL29471424 | 0.47 | — | — | |
| Pyridazine SCHEMBL11423 | 0.47 | TSHR (0.42) | — | |
| Pyridazine SCHEMBL28308302 | 0.47 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6737525-B2 | USEFUL IN FLUORINATING, PREFERABLY IN A NITROMETHANE SOLVENT, CARBANIONIC SPECIES AND/OR ACTIVATED AROMATIC COMPOUNDS | AIR PRODUCTS AND CHEMICALS, INC. | 2004-05-18 | — | — | US | disclosed |
| US-20020123657-A1 | Electrophilic fluorination | AIR PRODUCTS AND CHEMICALS, INC. | 2002-09-05 | — | — | US | disclosed |