⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7306970 | 0.72 | — | — | |
| SCHEMBL8647864 | 0.67 | — | — | |
| SCHEMBL17434745 | 0.67 | — | — | |
| SCHEMBL884240 | 0.62 | — | — | |
| SCHEMBL18161393 | 0.61 | — | — | |
| SCHEMBL9017756 | 0.61 | NLRP3 (0.35) | — | |
| SCHEMBL17429330 | 0.61 | — | — | |
| SCHEMBL24978880 | 0.59 | — | — | |
| SCHEMBL13278474 | 0.58 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL6264490 | 0.58 | CA5A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-6342606-B2 | REACTING PYRIDINE ESTER DERIVATIVE WITH A REDUCING AGENT, AN ALKYLATING AGENT, AN ALKENYLATING AGENT, AN ARYLATING AGENT OR AN ARALKYLATING AGENT TO OBTAIN A PYRIDINE CARBONYL DERIVATIVE, REDUCING | KURARAY CO., LTD. (JP) | 2002-01-29 | — | — | US | disclosed |
| US-20010031871-A1 | Method for producing pyridine derivatives | KURARAY CO., LTD. (JP) | 2001-10-18 | — | — | US | disclosed |
| US-6265580-B1 | REACTING AMINE DERIVATIVE WITH CARBONYLATING AGENT AND NITRILE DERIVATIVE | KURARAY CO., LTD. (JP) | 2001-07-24 | — | — | US | disclosed |
| US-6111111-A | Intermediates for producing pyridine derivatives | KURARAY CO., LTD. (JP) | 2000-08-29 | — | — | US | disclosed |
| EP-0911335-A2 | Method for producing furopyridine derivatives and intermediate compounds | KURARAY CO., LTD. (JP) | 1999-04-28 | — | — | EP | disclosed |