⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8906558 | 1.00 | — | — | |
| Cysteine SCHEMBL9780171 | 0.79 | PTGS1 (0.94) | — | |
| Cysteine SCHEMBL9780174 | 0.79 | PTGS1 (0.94) | — | |
| Cysteine SCHEMBL4864416 | 0.77 | PTGS1 (0.55) | — | |
| Cysteine SCHEMBL28081717 | 0.77 | PTGS1 (0.89) | — | |
| Cysteine SCHEMBL28081716 | 0.77 | PTGS1 (0.89) | — | |
| Cysteine SCHEMBL4864408 | 0.77 | PTGS1 (0.55) | — | |
| Cysteine SCHEMBL95110 | 0.75 | — | — | |
| Cysteine SCHEMBL4289403 | 0.75 | — | — | |
| SCHEMBL16033448 | 0.75 | — | — |
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-114380880-A | Fmoc-amino acid modified 20(S) -protopanoxadiol derivative, preparation method and application thereof | 吉林大学 | 2022-04-22 | — | — | CN | claimed |
| CN-110642913-A | (20S,24R) -ocotillol type ginsenoside amino acid derivative, preparation method and application | 吉林大学 | 2020-01-03 | — | — | CN | claimed |
| CN-114380880-B | Fmoc-amino acid modified 20 (S) -protopanoxadiol derivative and preparation method and application thereof | 吉林大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-114380880-A | Fmoc-amino acid modified 20(S) -protopanoxadiol derivative, preparation method and application thereof | 吉林大学 | 2022-04-22 | — | — | CN | disclosed |
| CN-110642913-A | (20S,24R) -ocotillol type ginsenoside amino acid derivative, preparation method and application | 吉林大学 | 2020-01-03 | — | — | CN | disclosed |
| EP-1537421-B1 | A METHOD FOR THE IDENTIFICATION OF DRUG TARGETS | VLAAMS INTERUNIV INST BIOTECH (BE) | 2007-12-05 | — | — | EP | disclosed |
| US-20060160131-A1 | Method for the identification of drug targets | VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) | 2006-07-20 | — | — | US | disclosed |
| EP-1537421-A2 | A METHOD FOR THE IDENTIFICATION OF DRUG TARGETS | Vlaams Interuniversitair Instituut voor Biotechnologie vzw. (BE) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004025243-A2 | A METHOD FOR THE IDENTIFICATION OF DRUG TARGETS | VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) | 2004-03-25 | — | — | WO | disclosed |