⚠ 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27662161 | 0.95 | ALDH1A1 (0.38) | — | |
| Ethoxycarbonyl Group SCHEMBL4631753 | 0.92 | — | — | |
| Butanone SCHEMBL28264185 | 0.89 | ALDH1A1 (0.53) | — | |
| Ethoxycarbonyl Group SCHEMBL7400598 | 0.88 | — | — | |
| Ethoxycarbonyl Group SCHEMBL3225173 | 0.88 | — | — | |
| Ethoxycarbonyl Group SCHEMBL453 | 0.87 | — | — | |
| Ethoxycarbonyl Group SCHEMBL1332384 | 0.87 | — | — | |
| Ethoxycarbonyl Group SCHEMBL5306888 | 0.87 | ALDH1A1 (0.38) | — | |
| Ethoxycarbonyl Group SCHEMBL18686403 | 0.87 | CA1 (0.40) | — | |
| Ethoxycarbonyl Group SCHEMBL8821576 | 0.87 | ALDH1A1 (0.50) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101156893-A | Mass control method of apricot red injection | GUIYANG YUNYAN XICHUANG PHARM (CN) | 2008-04-09 | — | — | CN | claimed |
| CN-117043160-A | Crystalline forms of FXR receptor agonists | 轩竹生物科技股份有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-1746160-A | Synthesis of plant growth hormone 3-indolebutyric acid | UNIV TIANJIN (CN) | 2006-03-15 | — | — | CN | disclosed |
| EP-0237522-B1 | PHARMACEUTICALLY ACTIVE DERIVATIVES OF TRYPTOPHAN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1993-02-24 | — | — | EP | disclosed |
| US-4870097-A | ANALGESICS, CENTRAL NERVOUS SYSTEM DISORDERS | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1989-09-26 | — | — | US | disclosed |
| US-4791215-A | DIGESTIVE SYSTEM DISORDERS | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1988-12-13 | — | — | US | disclosed |
| EP-0237522-A1 | PHARMACEUTICALLY ACTIVE DERIVATIVES OF TRYPTOPHAN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | ROTTA RESEARCH LAB (IT) | 1987-09-23 | — | — | EP | disclosed |
| WO-1986003489-A1 | PHARMACEUTICALLY ACTIVE DERIVATIVES OF TRYPTOPHAN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1986-06-19 | — | — | WO | disclosed |
| US-4576951-A | ANAGELSICS, NARCOTICS, ENKEPHALINS, POTENIATION | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1986-03-18 | — | — | US | disclosed |