⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1703964 | 0.82 | — | — | |
| SCHEMBL1704361 | 0.72 | — | — | |
| SCHEMBL28684776 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL100297 | 0.70 | — | — | |
| SCHEMBL459761 | 0.70 | — | — | |
| SCHEMBL28698828 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL28679513 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL30403425 | 0.70 | — | — | |
| SCHEMBL28679535 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL28694138 | 0.70 | ALDH1A1 (0.41) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4059610-A | Process for preparing isocyanic acid derivatives | KAO SOAP CO., LTD. (JA) | 1977-11-22 | — | — | US | claimed |
| EP-0181312-B1 | PROCESS FOR PREPARATION OF SUBSTITUTED PYRIDINES | Monsanto Company (US) | 1991-04-03 | — | — | EP | disclosed |
| US-4824954-A | FROM ACETONE DIESTER 4-1AMINO-2,3-BIS/HALOALKYL-3,5-PYRIDINEDICARBOXYLATE | MONSANTO COMPANY (US) | 1989-04-25 | — | — | US | disclosed |
| EP-0143465-B1 | NOVEL HALONITRILES AND THEIR PREPARATION | THE DOW CHEMICAL COMPANY (US) | 1988-06-22 | — | — | EP | disclosed |
| EP-0137415-B1 | ADDITION OF POLYHALONITRILES TO FUNCTIONALIZED OLEFINS | THE DOW CHEMICAL COMPANY (US) | 1988-06-01 | — | — | EP | disclosed |
| EP-0181312-A2 | Process for preparation of substituted pyridines | Monsanto Company (US) | 1986-05-14 | — | — | EP | disclosed |
| US-4562009-A | Halonitriles, their preparation and use to make halopyridines | THE DOW CHEMICAL COMPANY (US) | 1985-12-31 | — | — | US | disclosed |
| EP-0143465-A2 | Novel halonitriles and their preparation | THE DOW CHEMICAL COMPANY (US) | 1985-06-05 | — | — | EP | disclosed |
| EP-0137415-A2 | Addition of polyhalonitriles to functionalized olefins | THE DOW CHEMICAL COMPANY (US) | 1985-04-17 | — | — | EP | disclosed |
| US-4059610-A | Process for preparing isocyanic acid derivatives | KAO SOAP CO., LTD. (JA) | 1977-11-22 | — | — | US | disclosed |