⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2815614 | 0.71 | — | — | |
| SCHEMBL2765 | 0.67 | — | — | |
| SCHEMBL28124906 | 0.67 | — | — | |
| SCHEMBL31500732 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28302802 | 0.64 | — | — | |
| Hydrogen Sulfide SCHEMBL27930911 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4972828 | 0.64 | — | — | |
| Lithium SCHEMBL30434301 | 0.64 | — | — | |
| SCHEMBL1502365 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL28757273 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124530-B | Preparation method of evodiamine | 江西师范大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-115124530-A | Preparation method of evodiamine | 江西师范大学 | 2022-09-30 | — | — | CN | disclosed |
| US-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| EP-0691962-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994022842-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1994-10-13 | — | — | WO | disclosed |