⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10024889 | 0.73 | — | — | |
| SCHEMBL16188068 | 0.71 | SIGMAR1 (0.32) | — | |
| SCHEMBL12277472 | 0.68 | TRPA1 (0.35) | — | |
| SCHEMBL14262331 | 0.66 | — | — | |
| SCHEMBL10057427 | 0.66 | — | — | |
| SCHEMBL12598415 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL15580609 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL28880632 | 0.59 | KDM4E (0.32) | — | |
| SCHEMBL4463625 | 0.56 | CYP19A1 (0.41) | — | |
| SCHEMBL23212148 | 0.56 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7700783-B2 | Synthesis of discodermolide and variants thereof | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2010-04-20 | — | — | US | disclosed |
| US-20070276144-A1 | Synthesis Of Discodermolide And Variants Thereof | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA | 2007-11-29 | — | — | US | disclosed |
| US-20070276144-A1 | Synthesis Of Discodermolide And Variants Thereof | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA | 2007-11-29 | — | — | US | disclosed |