⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7905866 | 0.84 | — | — | |
| SCHEMBL3897944 | 0.77 | — | — | |
| SCHEMBL27395684 | 0.75 | TSHR (0.57) | — | |
| SCHEMBL9572894 | 0.75 | — | — | |
| SCHEMBL14160687 | 0.75 | CYP2C19 (0.57) | — | |
| SCHEMBL23135174 | 0.73 | TSHR (0.55) | — | |
| SCHEMBL9572618 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL27969020 | 0.73 | TSHR (0.55) | — | |
| Acetonitrile SCHEMBL64993 | 0.73 | MEN1 (0.30) | — | |
| SCHEMBL4501537 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6207852-B1 | THERAPY FOR INCONTINENCE; CROHN'S DISEASE; MUSCLE RELAXANTS | BRIDGE PHARMA, INC. | 2001-03-27 | — | — | US | disclosed |