⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL293355 | 0.74 | — | — | |
| SCHEMBL42460 | 0.74 | — | — | |
| SCHEMBL27485826 | 0.70 | — | — | |
| SCHEMBL6210124 | 0.70 | — | — | |
| SCHEMBL3578091 | 0.70 | — | — | |
| SCHEMBL23451866 | 0.70 | — | — | |
| SCHEMBL9703164 | 0.70 | — | — | |
| Ethylene SCHEMBL28073422 | 0.63 | ALDH1A1 (0.33) | — | |
| N,N-Dimethylethanaminium SCHEMBL8763167 | 0.63 | — | — | |
| SCHEMBL2701991 | 0.63 | — | — |
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 8 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 |
| EP-0215739-B1 | SYNTHESIS OF BETA-LACTAM COMPOUNDS | CIBA-GEIGY AG (CH) | 1993-09-01 | — | — | EP | disclosed |
| US-5215997-A | Synthesis of beta-lactam compounds | CIBA-GEIGY CORPORATION (US) | 1993-06-01 | — | — | US | disclosed |
| US-5153315-A | Penicilllin deriviatives | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| US-4962196-A | (3S, 4R)-3,4-trans-disubstituted azetidin-2-one intermediates | CIBA-GEIGY CORPORATION (US) | 1990-10-09 | — | — | US | disclosed |
| EP-0215739-A1 | Synthesis of beta-lactam compounds | CIBA-GEIGY AG (CH) | 1987-03-25 | — | — | EP | disclosed |