⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11007067 | 0.79 | — | — | |
| SCHEMBL2154678 | 0.76 | TDP1 (0.35) | — | |
| SCHEMBL10580699 | 0.73 | — | — | |
| SCHEMBL2332935 | 0.72 | — | — | |
| SCHEMBL1577602 | 0.72 | — | — | |
| SCHEMBL9208434 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6987469 | 0.69 | — | — | |
| SCHEMBL4828750 | 0.69 | — | — | |
| Chlorobutanol SCHEMBL4636905 | 0.67 | THRB (0.62) | — | |
| SCHEMBL6561359 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110118473-A1 | PROCESS FOR CONVERTING 9-DIHYDRO-13ACETYLBACCATIN III PACLITAXEL AND DOCETAXEL | 6570763 CANADA INC. (CA) | 2011-05-19 | — | — | US | disclosed |
| US-7847111-B2 | Semi-synthetic route for the preparation of paclitaxel, docetaxel, and 10-deacetylbaccatin III from 9-dihydro-13-acetylbaccatin III | CANADA INC. (CA) | 2010-12-07 | — | — | US | disclosed |
| US-20070293687-A1 | SEMI-SYNTHETIC ROUTE FOR THE PREPARATION OF PACLITAXEL, DOCETAXEL, AND 10-DEACETYLBACCATIN III FROM 9-DIHYDRO-13-ACETYLBACCATIN III | 6570763 CANADA INC. (CA) | 2007-12-20 | — | — | US | disclosed |
| US-6372936-B1 | REACTING AMINO PROTECTED RACEMIC 3-AMINO-2-METHYL PROPIONIC ACID WITH ENANTIOMER OF CHIRAL AMINE TO FORM DIASTEREOMERIC SALTS, RECRYSTALLIZING SALTS FROM ETHYL ACETATE TO SEPARATE, RELEASING RESOLVED ACID WITH SOLUTION OF INORGANIC BASE | ELI LILLY AND COMPANY | 2002-04-16 | — | — | US | disclosed |
| EP-1059286-A1 | Optical resolution of aminoisobutyric acid | ELI LILLY AND COMPANY (US) | 2000-12-13 | — | — | EP | disclosed |