⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3107912 | 1.00 | — | — | |
| SCHEMBL27440287 | 1.00 | — | — | |
| Thiophene SCHEMBL28192766 | 0.86 | — | — | |
| SCHEMBL27865051 | 0.83 | — | — | |
| SCHEMBL27611847 | 0.72 | SLC6A2 (0.30) | — | |
| SCHEMBL4763930 | 0.69 | — | — | |
| SCHEMBL11086680 | 0.69 | — | — | |
| SCHEMBL3159845 | 0.69 | — | — | |
| SCHEMBL3159809 | 0.68 | ARG1 (0.31) | — | |
| SCHEMBL3591067 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100584836-C | Semi-synthetic process for the preparation of 10-deacetyl-N-debenzoyl-taxol | INDENA SPA | 2010-01-27 | — | — | CN | claimed |
| US-20060079571-A1 | Semisynthesis process for the preparation of 10-deacetyl-N-debenzoyl-paclitaxel | INDENA S.P.A. (IT) | 2006-04-13 | — | — | US | claimed |
| CN-101704804-B | Semisynthesis process for the preparation of 10-deacetyl-n-debenzoyl-paclitaxel | INDENA SPA | 2015-03-18 | — | — | CN | disclosed |
| CN-101704804-A | Semisynthesis process for the preparation of 10-deacetyl-n-debenzoyl-paclitaxel | INDENA SPA | 2010-05-12 | — | — | CN | disclosed |
| CN-100584836-C | Semi-synthetic process for the preparation of 10-deacetyl-N-debenzoyl-taxol | INDENA SPA | 2010-01-27 | — | — | CN | disclosed |
| US-20080167369-A1 | Semisynthesis Process for the Preparation of 10-Deacytyl-N-Debenzoyl-Paclitaxel | INDENA S.P.A. (IT) | 2008-07-10 | — | — | US | disclosed |