⚠ 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 | |
|---|---|---|---|---|
| Sulfamide SCHEMBL27902112 | 0.86 | — | — | |
| Sulfamate SCHEMBL6525631 | 0.86 | — | — | |
| Sulfuric Acid SCHEMBL3902876 | 0.80 | CA5A (0.60) | — | |
| Sulfuric Acid SCHEMBL379310 | 0.80 | — | — | |
| Sulfuric Acid SCHEMBL145458 | 0.80 | CA5A (0.60) | — | |
| Sulfamide SCHEMBL27676226 | 0.78 | — | — | |
| Urea SCHEMBL411583 | 0.78 | — | — | |
| Urea SCHEMBL20641124 | 0.78 | LMNA (1.00) | — | |
| Urea SCHEMBL7756359 | 0.78 | LMNA (1.00) | — | |
| Urea C 13 SCHEMBL12476878 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115536637-A | S-triazine derivative and its synthesis method and use | 陕西中医药大学 | 2022-12-30 | — | — | CN | disclosed |
| EP-2670765-B1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO 4) LTD (GB) | 2017-10-18 | — | — | EP | disclosed |
| US-20160151387-A1 | COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) | 2016-06-02 | — | — | US | disclosed |
| US-20140343000-A1 | COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) | 2014-11-20 | — | — | US | disclosed |
| US-8846647-B2 | C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-30 | — | — | US | disclosed |
| EP-2670765-A1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | Bristol-Myers Squibb Company (US) | 2013-12-11 | — | — | EP | disclosed |
| US-20130035318-A1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY | 2013-02-07 | — | — | US | disclosed |
| WO-2012106190-A1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-08-09 | — | — | WO | disclosed |