⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2933753 | 0.87 | HTR1A (0.32) | — | |
| SCHEMBL20034671 | 0.77 | — | — | |
| SCHEMBL13698346 | 0.75 | TDP1 (0.45) | — | |
| SCHEMBL12510344 | 0.74 | — | — | |
| SCHEMBL1193421 | 0.73 | CCNE2 (0.35) | — | |
| SCHEMBL14037208 | 0.70 | CYP2C19 (0.42) | — | |
| SCHEMBL2223767 | 0.69 | — | — | |
| SCHEMBL3461929 | 0.69 | — | — | |
| SCHEMBL3468878 | 0.68 | TSHR (0.34) | — | |
| SCHEMBL13623137 | 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 |
|---|---|---|---|---|---|---|---|
| US-10787480-B2 | Cytotoxic peptides and conjugates thereof | NOVARTIS AG (CH) | 2020-09-29 | — | — | US | disclosed |
| US-10392421-B2 | Cytotoxic peptides and conjugates thereof | NOVARTIS AG (CH) | 2019-08-27 | — | — | US | disclosed |
| US-10280139-B2 | Cytotoxic peptides and conjugates thereof | NOVARTIS AG (CH) | 2019-05-07 | — | — | US | disclosed |
| US-20180155281-A1 | CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2018-06-07 | — | — | US | disclosed |
| US-9938323-B2 | Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase | NOVARTIS AG (CH) | 2018-04-10 | — | — | US | disclosed |
| US-20170355731-A1 | AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE | NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION | 2017-12-14 | — | — | US | disclosed |