⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1478683 | 0.82 | — | — | |
| Diethyl Sulfide SCHEMBL27724182 | 0.76 | — | — | |
| SCHEMBL721708 | 0.74 | — | — | |
| SCHEMBL10350231 | 0.73 | TSHR (0.40) | — | |
| Diethyl Sulfide SCHEMBL11503638 | 0.73 | — | — | |
| Diethyl Sulfide SCHEMBL28157018 | 0.73 | TDP1 (0.40) | — | |
| Potassium Ion SCHEMBL11582867 | 0.72 | — | — | |
| Zinc Ion SCHEMBL964381 | 0.72 | FFAR3 (0.39) | — | |
| SCHEMBL9435257 | 0.72 | — | — | |
| SCHEMBL9857548 | 0.72 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9283261-B2 | Linaclotide compositions | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2016-03-15 | — | — | US | disclosed |
| US-20150005241-A1 | LINACLOTIDE COMPOSITIONS | ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) | 2015-01-01 | — | — | US | disclosed |