⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11211564 | 0.85 | GABRR1 (0.37) | — | |
| SCHEMBL11211566 | 0.85 | GABRR1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL11228346 | 0.83 | GABRR1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL11624764 | 0.83 | GABRR1 (0.35) | — | |
| SCHEMBL11235342 | 0.80 | — | — | |
| SCHEMBL11235005 | 0.73 | MTNR1A (0.32) | — | |
| SCHEMBL11241097 | 0.71 | — | — | |
| Bromide SCHEMBL11241577 | 0.71 | MTNR1A (0.31) | — | |
| Hydrochloric Acid SCHEMBL6853860 | 0.69 | CYP2C19 (0.42) | — | |
| SCHEMBL11235832 | 0.69 | GABRR1 (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-4323704-A | ENZYME INHIBITORS USEFUL AGAINST BACTERIA, FUNGUS AND VIRAL INFECTIONS, MALE ANTIFERTILITY AGENTS, IMMUNO-SUPPRESSANTS, AND ANTITUMOR ACTIVITY | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-04-06 | — | — | US | disclosed |
| US-4267374-A | BACTERICIDES; VIRICIDES; FUNGICIDES; INHIBITORS OF HYDROLASE ENZYMES; INTERMEDIATE FOR CEPHALOSPORIN COMPOUND | MERRELL TORAUDE ET COMPAGNIE (FR) | 1981-05-12 | — | — | US | disclosed |