⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8688575 | 0.67 | — | — | |
| SCHEMBL2112584 | 0.67 | — | — | |
| SCHEMBL104512 | 0.59 | — | — | |
| SCHEMBL132811 | 0.59 | — | — | |
| SCHEMBL821860 | 0.59 | — | — | |
| SCHEMBL10550667 | 0.59 | — | — | |
| SCHEMBL5399479 | 0.56 | — | — | |
| SCHEMBL20597277 | 0.56 | — | — | |
| SCHEMBL18923 | 0.56 | — | — | |
| Propynal SCHEMBL9393 | 0.56 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691962-B1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AG (DE) | 2000-09-13 | — | — | EP | 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 |
| US-4490369-A | HYPOTENSIVE, BRRADYCARDIAL | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-25 | — | — | US | disclosed |
| EP-0109636-A2 | Benzazepine derivatives, process for their preparation and their use as pharmaceutical compounds | Dr. Karl Thomae GmbH (DE) | 1984-05-30 | — | — | EP | disclosed |