⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6180813 | 0.79 | — | — | |
| SCHEMBL10945575 | 0.79 | — | — | |
| SCHEMBL9262094 | 0.79 | — | — | |
| SCHEMBL131562 | 0.76 | — | — | |
| SCHEMBL10031019 | 0.75 | PKM (0.51) | — | |
| SCHEMBL91500 | 0.73 | — | — | |
| SCHEMBL2095527 | 0.72 | — | — | |
| SCHEMBL7097774 | 0.72 | LOXL2 (0.32) | — | |
| SCHEMBL16848089 | 0.71 | — | — | |
| SCHEMBL7250089 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1307579-A2 | BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES | Kosan Biosciences, Inc. (US) | 2003-05-07 | — | — | EP | disclosed |
| US-20020193361-A1 | Epothilone derivatives and methods for making and using the same | KOSAN BIOSCIENCES, INC. | 2002-12-19 | — | — | US | disclosed |
| WO-2002012534-A2 | BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES | KOSAN BIOSCIENCES, INC. (US) | 2002-02-14 | — | — | WO | disclosed |