⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9332434 | 0.72 | — | — | |
| SCHEMBL16190137 | 0.72 | — | — | |
| SCHEMBL4107752 | 0.70 | — | — | |
| SCHEMBL8115090 | 0.70 | — | — | |
| SCHEMBL20285553 | 0.65 | PTGS1 (0.37) | — | |
| SCHEMBL2629389 | 0.65 | — | — | |
| SCHEMBL25336917 | 0.64 | ALDH1A1 (0.45) | — | |
| SCHEMBL13382091 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL8999546 | 0.60 | PTGS1 (0.50) | — | |
| SCHEMBL6124949 | 0.60 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230295220-A1 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2023-09-21 | — | — | US | disclosed |
| EP-3831839-B1 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2023-07-26 | — | — | EP | disclosed |
| US-20210323997-A1 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | VIIV Healthcare UK (No.5) Limited (GB) | 2021-10-21 | — | — | US | disclosed |
| US-11084845-B2 | C-3 and C-17 modified triterpenoids as HIV-1 inhibitors | VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) | 2021-08-10 | — | — | US | disclosed |
| EP-3831839-A2 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | ViiV Healthcare UK (No.5) Limited (GB) | 2021-06-09 | — | — | EP | disclosed |
| CN-109153700-B | C-3 and C-17 modified triterpenoids as HIV-1 inhibitors | VIIV保健英国第五有限公司 | 2021-03-09 | — | — | CN | disclosed |
| EP-3411381-B1 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2021-01-20 | — | — | EP | disclosed |
| US-10421774-B2 | C-3 and C-17 modified triterpenoids as HIV-1 inhibitors | VIIV Healthcare UK (No.5) Limited (GB) | 2019-09-24 | — | — | US | disclosed |
| US-20190031709-A1 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2019-01-31 | — | — | US | disclosed |
| CN-109153700-A | The triterpene compound that C-3 and C-17 as HIV-1 inhibitor are modified | VIIV保健英国第五有限公司 | 2019-01-04 | — | — | CN | disclosed |
| EP-3411381-A1 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | VIIV Healthcare UK (No.5) Limited (GB) | 2018-12-12 | — | — | EP | disclosed |
| WO-2017134596-A1 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | VIIV Healthcare UK (No.5) Limited (GB) | 2017-08-10 | — | — | WO | disclosed |
| WO-2005007636-A1 | 1,2,4- THIADIAZOL-5-THIO COMPOUNDS AND THE DERIVATIVES THEREOF, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF AS UREASE AND NITRIFICATION INHIBITORS | SKW STICKSTOFFWERKE PIESTERITZ GMBH (DE) | 2005-01-27 | — | — | WO | disclosed |
| EP-1339670-A1 | SUBSTITUTED CYCLOHEXANE DERIVATES AND THE USE THEREOF IN MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES | Bayer Aktiengesellschaft (DE) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002042257-A1 | SUBSTITUTED CYCLOHEXANE DERIVATES AND THE USE THEREOF IN MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-30 | — | — | WO | disclosed |
| US-4069319-A | 3-(DIALKYLPHOSPHORYL- OR THIOPHOSPHORYL-OXY)-1,2,4-THIADIAZOLES; INSECTICIDES, NEMATOCIDES | ROUSSEL UCLAF (FR) | 1978-01-17 | — | — | US | disclosed |
| US-4067720-A | Certain 2-carbamoyl-1,2,4-thiadiazole-3-one herbicides | ROUSSEL UCLAF (FR) | 1978-01-10 | — | — | US | disclosed |