⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL668141 | 0.76 | — | — | |
| SCHEMBL6966831 | 0.72 | — | — | |
| SCHEMBL831671 | 0.72 | — | — | |
| SCHEMBL8790148 | 0.69 | — | — | |
| SCHEMBL6279283 | 0.67 | — | — | |
| SCHEMBL8401728 | 0.67 | — | — | |
| SCHEMBL6279288 | 0.67 | — | — | |
| SCHEMBL4624155 | 0.64 | — | — | |
| SCHEMBL10615083 | 0.64 | — | — | |
| SCHEMBL2618 | 0.62 | — | — |
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 |