⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29544863 | 0.78 | — | — | |
| SCHEMBL3195509 | 0.76 | — | — | |
| Ethyl Acetate SCHEMBL1330912 | 0.74 | — | — | |
| SCHEMBL12998279 | 0.72 | — | — | |
| Urethane SCHEMBL10825610 | 0.70 | — | — | |
| SCHEMBL3802558 | 0.69 | — | — | |
| SCHEMBL12998276 | 0.66 | CYP4F2 (0.35) | — | |
| SCHEMBL342 | 0.65 | — | — | |
| SCHEMBL27838562 | 0.65 | ALDH1A1 (0.56) | — | |
| SCHEMBL9723666 | 0.64 | — | — |
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-11858900-B2 | Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives | OCUTERRA THERAPEUTICS, INC. (US) | 2024-01-02 | — | — | US | disclosed |
| US-20100029716-A1 | NOVEL 1,2,3,4- TETRAHYDROQUINOLINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2010-02-04 | — | — | US | disclosed |
| WO-2007120621-A2 | NONEL 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2007-10-25 | — | — | WO | disclosed |