⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28381757 | 0.97 | UHRF1 (1.00) | — | |
| SCHEMBL44068 | 0.97 | — | — | |
| SCHEMBL29365333 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL31187340 | 0.94 | — | — | |
| SCHEMBL17377386 | 0.94 | — | — | |
| Bromide SCHEMBL5327604 | 0.94 | UHRF1 (0.94) | — | |
| Hydrochloric Acid SCHEMBL8614576 | 0.94 | — | — | |
| SCHEMBL11566788 | 0.94 | — | — | |
| SCHEMBL29725298 | 0.87 | UHRF1 (0.81) | — | |
| Acetic Acid SCHEMBL9246464 | 0.84 | UHRF1 (0.74) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100034827-A1 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2010-02-11 | — | — | US | disclosed |