⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28352610 | 1.00 | — | — | |
| SCHEMBL3400627 | 0.83 | — | — | |
| SCHEMBL10456902 | 0.81 | — | — | |
| SCHEMBL23604934 | 0.79 | — | — | |
| SCHEMBL3367338 | 0.79 | — | — | |
| SCHEMBL2835456 | 0.79 | — | — | |
| SCHEMBL2278577 | 0.78 | — | — | |
| SCHEMBL9389952 | 0.78 | — | — | |
| SCHEMBL8532467 | 0.78 | — | — | |
| SCHEMBL3365704 | 0.77 | SPHK1 (0.95) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110770224-B | Indole derivatives as efflux pump inhibitors | 罗格斯新泽西州立大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-110770224-A | Indole derivatives as efflux pump inhibitors | 罗格斯新泽西州立大学 | 2020-02-07 | — | — | CN | disclosed |
| US-5110966-A | New organoboron reagents for the preparation unsubstituted propargylic alcohols | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-05-05 | — | — | US | disclosed |