⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5847383 | 1.00 | — | — | |
| SCHEMBL11726864 | 0.83 | PTPN1 (0.30) | — | |
| SCHEMBL11726872 | 0.83 | PTPN1 (0.30) | — | |
| SCHEMBL11286486 | 0.78 | — | — | |
| SCHEMBL11679194 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL11679189 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL10748695 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL4795863 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL4795861 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL1782228 | 0.73 | PTPN1 (0.36) | — |
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-7132458-B2 | Oxidized carotenoid fractions and ketoaldehyde useful as cell-differentiation inducers, cytostatic agents, and anti-tumor agents | CHEMAPHOR INC. (CA) | 2006-11-07 | — | — | US | disclosed |
| US-20030096875-A1 | Oxidized carotenoid fractions and ketoaldehyde useful as cell-differentiation inducers, cytostatic agents, and anti-tumor agents | CHEMAPHOR INC. (CA) | 2003-05-22 | — | — | US | disclosed |
| US-5471004-A | Subjecting an allyl-hexamethylenetetraammonium derivative to hydrolysis | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-28 | — | — | US | disclosed |
| EP-0235532-B1 | PROCESS FOR THE PREPARATION OF 4-MONOACETALS OF 2-METHYL-2-BUTENE-1,4-DIAL | BASF Aktiengesellschaft (DE) | 1989-06-14 | — | — | EP | disclosed |
| US-4804786-A | HYDROLYSIS OR ALCOHOLYSIS OF BISACETALS IN PRESENCE OF ACID CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1989-02-14 | — | — | US | disclosed |
| EP-0235532-A1 | Process for the preparation of 4-monoacetals of 2-methyl-2-butene-1,4-dial | BASF Aktiengesellschaft (DE) | 1987-09-09 | — | — | EP | disclosed |
| US-4009202-A | 2(OR 3)-METHYL-1-ACETOXY-4-ALKOXY (OR PHENOXY)-1,3-BUTADIENES | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1977-02-22 | — | — | US | disclosed |