⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11549661 | 0.74 | — | — | |
| SCHEMBL4881611 | 0.65 | — | — | |
| SCHEMBL269378 | 0.65 | — | — | |
| SCHEMBL621799 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL16670962 | 0.60 | PDPK1 (0.39) | — | |
| SCHEMBL29025164 | 0.59 | — | — | |
| SCHEMBL623091 | 0.58 | GPR84 (0.37) | — | |
| SCHEMBL1027196 | 0.58 | — | — | |
| SCHEMBL6243646 | 0.57 | — | — | |
| SCHEMBL250311 | 0.56 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4824673-B2 | — | — | 2011-11-30 | — | — | JP | claimed |
| EP-1756114-A2 | HIV INTEGRASE INHIBITORS | Merck and Co., Inc. (US) | 2007-02-28 | — | — | EP | claimed |
| WO-2005110414-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-11-24 | — | — | WO | claimed |
| WO-2005110415-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-11-24 | — | — | WO | claimed |
| EP-1756114-A2 | HIV INTEGRASE INHIBITORS | Merck and Co., Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005110415-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-11-24 | — | — | WO | disclosed |
| WO-2005110414-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-11-24 | — | — | WO | disclosed |