⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21757763 | 0.64 | — | — | |
| SCHEMBL21757724 | 0.64 | — | — | |
| SCHEMBL2367994 | 0.57 | — | — | |
| SCHEMBL20619915 | 0.56 | NOS3 (0.30) | — | |
| SCHEMBL51996 | 0.55 | — | — | |
| SCHEMBL51022 | 0.55 | LMNA (0.30) | — | |
| SCHEMBL22198336 | 0.55 | TDP1 (0.33) | — | |
| SCHEMBL9849473 | 0.54 | — | — | |
| SCHEMBL22803237 | 0.54 | — | — | |
| SCHEMBL18944397 | 0.54 | THRB (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9783549-B2 | Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2017-10-10 | — | — | US | disclosed |