⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1060179 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6618909 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL10688336 | 0.69 | — | — | |
| SCHEMBL1493303 | 0.67 | — | — | |
| SCHEMBL14080654 | 0.67 | — | — | |
| SCHEMBL9933191 | 0.67 | — | — | |
| SCHEMBL17950341 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL9739519 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL17942045 | 0.64 | TDP1 (0.34) | — | |
| SCHEMBL17239455 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012033735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |