⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4552206 | 0.75 | GABRA1 (0.31) | — | |
| SCHEMBL3575608 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL3575514 | 0.63 | IGF1R (0.35) | — | |
| SCHEMBL3585516 | 0.61 | LDHA (0.33) | — | |
| SCHEMBL3584691 | 0.57 | RAB9A (0.56) | — | |
| SCHEMBL28398255 | 0.57 | GAA (0.40) | — | |
| SCHEMBL6321766 | 0.55 | CYP1A2 (0.58) | — | |
| SCHEMBL28142321 | 0.55 | GABRA1 (0.49) | — | |
| SCHEMBL11887253 | 0.55 | FABP3 (0.56) | — | |
| SCHEMBL7401519 | 0.54 | GABRA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2076492-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008054605-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-08 | — | — | WO | disclosed |