⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38659594 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL7441877 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL19356014 | 0.71 | — | — | |
| SCHEMBL371255 | 0.71 | — | — | |
| SCHEMBL1988780 | 0.71 | — | — | |
| SCHEMBL7032277 | 0.71 | — | — | |
| SCHEMBL5163982 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10727498 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL11096993 | 0.69 | — | — | |
| SCHEMBL8032391 | 0.69 | TSHR (0.38) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0428849-A2 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-29 | — | — | EP | claimed |
| US-5712417-A | Inhibitors of retroviral proteases | ABBOTT LABORATORIES (US) | 1998-01-27 | — | — | US | disclosed |
| EP-0435059-B1 | Retroviral protease inhibitors | HOECHST AG (DE) | 1997-11-05 | — | — | EP | disclosed |
| US-5663139-A | VIRICIDE OLIGOPEPTIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-09-02 | — | — | US | disclosed |
| US-5629431-A | Inhibitors of retroviral proteases | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-13 | — | — | US | disclosed |
| EP-0649426-A1 | INHIBITORS OF RETROVIRAL PROTEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-04-26 | — | — | EP | disclosed |
| WO-1994000461-A1 | INHIBITORS OF RETROVIRAL PROTEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-01-06 | — | — | WO | disclosed |
| EP-0435059-A1 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-03 | — | — | EP | disclosed |
| EP-0428849-A2 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-29 | — | — | EP | disclosed |