⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL315447 | 0.78 | — | — | |
| SCHEMBL11153577 | 0.75 | — | — | |
| SCHEMBL5452466 | 0.64 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL1996108 | 0.64 | — | — | |
| Cyanide SCHEMBL1994096 | 0.64 | — | — | |
| SCHEMBL4506753 | 0.62 | MGLL (0.36) | — | |
| SCHEMBL13054534 | 0.62 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL16338 | 0.62 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2146567 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL124190 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |