⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4113621 | 0.75 | — | — | |
| SCHEMBL2534431 | 0.71 | — | — | |
| SCHEMBL8087975 | 0.71 | — | — | |
| SCHEMBL16289615 | 0.71 | — | — | |
| SCHEMBL24614 | 0.69 | — | — | |
| SCHEMBL514687 | 0.69 | — | — | |
| SCHEMBL271616 | 0.67 | — | — | |
| SCHEMBL18606044 | 0.65 | — | — | |
| SCHEMBL3820278 | 0.65 | CHRM1 (0.44) | — | |
| SCHEMBL11284168 | 0.65 | — | — |
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 |