⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44321 | 0.87 | — | — | |
| SCHEMBL10918526 | 0.87 | — | — | |
| SCHEMBL23447665 | 0.86 | — | — | |
| SCHEMBL1832105 | 0.84 | — | — | |
| SCHEMBL10415770 | 0.84 | — | — | |
| Methane SCHEMBL28088726 | 0.84 | — | — | |
| SCHEMBL8218639 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL7207308 | 0.84 | — | — | |
| SCHEMBL466826 | 0.84 | — | — | |
| SCHEMBL29104610 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3481383-B1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME | CELLIX BIO PRIVATE LTD (IN) | 2023-06-14 | — | — | EP | disclosed |