⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL145589 | 0.81 | NOS3 (0.38) | — | |
| Bromide SCHEMBL1321516 | 0.79 | NOS3 (0.36) | — | |
| SCHEMBL20746107 | 0.77 | — | — | |
| SCHEMBL17030207 | 0.75 | NOS3 (0.33) | — | |
| SCHEMBL17029967 | 0.75 | — | — | |
| SCHEMBL19227961 | 0.74 | — | — | |
| SCHEMBL28215965 | 0.72 | — | — | |
| SCHEMBL22589402 | 0.71 | NOS3 (0.36) | — | |
| SCHEMBL2933677 | 0.71 | — | — | |
| SCHEMBL1708937 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11236055-B2 | Non-systemic TGR5 agonists | Venenum Biodesign, LLC (US) | 2022-02-01 | — | — | US | disclosed |
| US-20200308122-A1 | NOVEL NON-SYSTEMIC TGR5 AGONISTS | Venenum Biodesign, LLC (US) | 2020-10-01 | — | — | US | disclosed |
| US-4347310-A | INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1982-08-31 | — | — | US | disclosed |