⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10024893 | 0.92 | — | — | |
| SCHEMBL10024901 | 0.91 | — | — | |
| SCHEMBL10024891 | 0.83 | — | — | |
| SCHEMBL10024889 | 0.82 | — | — | |
| SCHEMBL14253540 | 0.76 | — | — | |
| SCHEMBL10024900 | 0.76 | CA12 (0.32) | — | |
| SCHEMBL14253536 | 0.76 | — | — | |
| SCHEMBL10024887 | 0.76 | CA12 (0.34) | — | |
| SCHEMBL10024898 | 0.74 | — | — | |
| SCHEMBL14533018 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193241-B2 | Discodermolide analogues and methods of their use | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2012-06-05 | — | — | US | disclosed |
| US-20110172220-A1 | DISCODERMOLIDE ANALOGUES AND METHODS OF THEIR USE | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-07-14 | — | — | US | disclosed |