⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12807926 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL22906419 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL20963029 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL18909797 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL1679774 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7345601 | 0.94 | ALDH1A1 (0.45) | — | |
| SCHEMBL17256488 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27988384 | 0.90 | — | — | |
| Alcohol SCHEMBL17743422 | 0.87 | EPHX1 (0.35) | — | |
| SCHEMBL10667304 | 0.86 | — | — |
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-20240239752-A1 | BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 | WILMINGTON TRUST, NATIONAL ASSOCIATION | 2024-07-18 | — | — | US | disclosed |
| US-7700524-B2 | Perfluoro sulfonyl halides and related species as polymer support modifiers | GE HEALTHCARE LIMITED (GB) | 2010-04-20 | — | — | US | disclosed |