⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19129356 | 0.77 | — | — | |
| SCHEMBL207203 | 0.72 | — | — | |
| SCHEMBL10427224 | 0.71 | — | — | |
| SCHEMBL12018827 | 0.71 | HCAR2 (0.60) | — | |
| SCHEMBL1801877 | 0.71 | HCAR2 (0.60) | — | |
| SCHEMBL3089611 | 0.71 | HCAR2 (0.60) | — | |
| SCHEMBL559558 | 0.71 | SMN1; SMN2 (0.59) | — | |
| SCHEMBL152682 | 0.69 | — | — | |
| SCHEMBL31736350 | 0.69 | HCAR2 (0.58) | — | |
| SCHEMBL10551080 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6083957-A | FOR TREATMENT OF GLAUCOMA, GASTROINTESTINAL MOTILITY DISORDERS, IRRITABLE BOWEL SYNDROME (IBS), URINARY BLADDER DISORDERS AND RESPIRATORY DISORDERS | NOVO NORDISK A/S (DK) | 2000-07-04 | — | — | US | claimed |
| EP-0161877-B1 | 1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) | 1991-05-29 | — | — | EP | claimed |
| US-20100069244-A1 | Pyridine Compounds for Combating Pests | BASF SE (DE) | 2010-03-18 | — | — | US | disclosed |
| WO-2004002981-A2 | HERBICIDAL THIENYLALKYNES | SYNGENTA PARTICIPATIONS AG (CH) | 2004-01-08 | — | — | WO | disclosed |
| US-5352802-A | Derivatives of 4H-thiopyran-1,1-dioxide | EASTMAN KODAK COMPANY (US) | 1994-10-04 | — | — | US | disclosed |
| EP-0555153-A1 | Pyrethrinoide esters, derivatives of furan- or thiophenalcohol, process for their preparation and application thereof as pesticides | ROUSSEL UCLAF (FR) | 1993-08-11 | — | — | EP | disclosed |
| EP-0161877-B1 | 1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) | 1991-05-29 | — | — | EP | disclosed |