⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5593709 | 0.77 | — | — | |
| SCHEMBL11626750 | 0.74 | — | — | |
| SCHEMBL11076303 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11628111 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL28159282 | 0.73 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL10383166 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL19283840 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL3950466 | 0.70 | CYP2C19 (0.44) | — | |
| SCHEMBL10897965 | 0.67 | — | — | |
| SCHEMBL1122744 | 0.66 | — | — |
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-11045745-B2 | Reactive extraction of water | University of Pittsburgh—of the Commonwealth System of Higher Education (US) | 2021-06-29 | — | — | US | disclosed |
| US-20200078703-A1 | REACTIVE EXTRACTION OF WATER | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2020-03-12 | — | — | US | disclosed |
| WO-2018169928-A1 | REACTIVE EXTRACTION OF WATER | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2018-09-20 | — | — | WO | disclosed |