⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11766271 | 0.73 | — | — | |
| SCHEMBL10762130 | 0.73 | — | — | |
| SCHEMBL8469447 | 0.69 | — | — | |
| SCHEMBL1579809 | 0.69 | — | — | |
| SCHEMBL11766274 | 0.64 | — | — | |
| SCHEMBL1232964 | 0.64 | — | — | |
| SCHEMBL11873005 | 0.60 | — | — | |
| SCHEMBL21693748 | 0.60 | — | — | |
| SCHEMBL3840749 | 0.60 | — | — | |
| SCHEMBL8645702 | 0.60 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0682660-B1 | SYNTHESIS OF TAXOL, ANALOGS AND INTERMEDIATES WITH VARIABLE A-RING SIDE CHAINS | BRYN MAWR COLLEGE (US) | 2003-11-05 | — | — | EP | disclosed |
| US-6509484-B2 | Trifluoroacetic acid amine salt taxane derivatives useful for taxol production | NAPRO BIOTHERAPEUTICS, INC. | 2003-01-21 | — | — | US | disclosed |
| EP-1260507-A1 | Synthesis of taxol, analogs and intermediates with variable A-nng side chains | BRYN MAWR COLLEGE (US) | 2002-11-27 | — | — | EP | disclosed |
| US-20020052517-A1 | Synthesis of taxol, taxol analogs and their intermediates with variable a-ring side chain structures and compositions thereof | SWINDELL CHARLES S (US) | 2002-05-02 | — | — | US | disclosed |
| US-6307088-B1 | O-HYDROCARBYL N-(1-SUBSTITUTED-2-ALKOXYCARBONYL-2-(OPTIONALLY PROTECTED HYDROXY)ETHYL)CARBAMATE | NAPRO BIOTHERAPEUTICS, INC. | 2001-10-23 | — | — | US | disclosed |
| US-6262281-B1 | ANTICANCER AGENT | BRYN MAWR COLLEGE | 2001-07-17 | — | — | US | disclosed |
| US-6072060-A | Synthesis of taxol, taxol analogs and their intermediates with variable A-ring side chain structures and compositions thereof | BRYN MAWR COLLEGE (US) | 2000-06-06 | — | — | US | disclosed |
| US-5939566-A | ESTERIFICATION OF TAXANE WITH CARBAMOYL ACID DERIVATIVE | BRYN MAWR COLLEGE (US) | 1999-08-17 | — | — | US | disclosed |
| US-5770745-A | CHEMICAL CONDENSATION OF ESTERIFICATION | BRYN MAWR COLLEGE (US) | 1998-06-23 | — | — | US | disclosed |
| EP-0682660-A4 | — | — | 1995-12-20 | — | — | EP | disclosed |
| EP-0682660-A1 | SYNTHESIS OF TAXOL, ANALOGS AND INTERMEDIATES WITH VARIABLE A-RING SIDE CHAINS | BRYN MAWR COLLEGE (US) | 1995-11-22 | — | — | EP | disclosed |
| WO-1994018186-A1 | SYNTHESIS OF TAXOL, ANALOGS AND INTERMEDIATES WITH VARIABLE A-RING SIDE CHAINS | BRYN MAWR COLLEGE (US) | 1994-08-18 | — | — | WO | disclosed |