⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2577998 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL391121 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL3373054 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL391122 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL2577996 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL5248678 | 0.73 | CYP2A6 (0.57) | — | |
| SCHEMBL9679607 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL9679616 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL1882464 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL46589 | 0.73 | ALDH1A1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021083209-A1 | SSAO INHIBITORS AND USE THEREOF | ECCOGENE (SHANGHAI) CO., LTD. (CN) | 2021-05-06 | — | — | WO | disclosed |
| WO-2020035560-A1 | 1-METHYL-4-[(4-PHENYLPHENYL)SULFONYLMETHYL]CYCLOHEXYANOL AND 1-METHYL-4-[[4-(2-PYRIDYL)PHENYL]SULFONYLMETHYL]CYCLOHEXANOL COMPOUNDS AND THEIR THERAPEUTIC USE | Modern Biosciences Limited (GB) | 2020-02-20 | — | — | WO | disclosed |
| US-20100233415-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| EP-1997856-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-4735950-A | DIURETICS, HYPOTENSIVE AGENT, ANTILIPEMIC AGENT | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) | 1988-04-05 | — | — | US | disclosed |
| US-4581363-A | DIURETICS | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 1986-04-08 | — | — | US | disclosed |
| US-4383998-A | Furo-(3,4-c)-pyridine derivatives and their pharmaceutical use | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) | 1983-05-17 | — | — | US | disclosed |