⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL760020 | 1.00 | — | — | |
| SCHEMBL14616020 | 1.00 | — | — | |
| SCHEMBL18748368 | 0.97 | CA1 (0.37) | — | |
| Acetic Acid SCHEMBL27809336 | 0.83 | SLC6A12 (0.50) | — | |
| SCHEMBL11881699 | 0.82 | — | — | |
| SCHEMBL21746023 | 0.80 | — | — | |
| SCHEMBL2877408 | 0.80 | — | — | |
| SCHEMBL462039 | 0.80 | — | — | |
| SCHEMBL462038 | 0.80 | — | — | |
| SCHEMBL28782697 | 0.80 | NOS1 (0.32) | — |
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-20130064843-A1 | Identification of conserved peptide blocks in homologous polypeptides | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2013-03-14 | — | — | US | disclosed |
| US-20100305341-A1 | PRODUCTION OF STEROLS IN OLEAGINOUS YEAST AND FUNGI | MICROBIA PRECISION ENGINEERING (US) | 2010-12-02 | — | — | US | disclosed |