⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3878505 | 0.82 | — | — | |
| SCHEMBL4197024 | 0.80 | — | — | |
| SCHEMBL5190695 | 0.80 | — | — | |
| SCHEMBL4197018 | 0.80 | — | — | |
| SCHEMBL11551769 | 0.80 | — | — | |
| SCHEMBL11608550 | 0.80 | — | — | |
| SCHEMBL5664867 | 0.78 | ALOX5 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7058874 | 0.78 | ALOX5 (0.55) | — | |
| SCHEMBL5337050 | 0.77 | TRPA1 (0.51) | — | |
| SCHEMBL10449720 | 0.77 | ALOX5 (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5045457-A | Novel compounds | BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) | 1991-09-03 | — | — | US | claimed |
| EP-0325462-A2 | Anthelmintic milbemycin derivatives | BEECHAM GROUP PLC (GB) | 1989-07-26 | — | — | EP | claimed |
| US-4729992-A | Cephalosporin esters, their production and use | TATSUO CHEMICAL IND., LTD. (JP) | 1988-03-08 | — | — | US | disclosed |
| US-4698339-A | BETA-LACTAMASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-10-06 | — | — | US | disclosed |
| EP-0159899-A2 | Cephalosporin esters, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-10-30 | — | — | EP | disclosed |
| EP-0137403-A2 | Carbapenems, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-04-17 | — | — | EP | disclosed |