⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5787963 | 0.68 | SLC6A3 (0.31) | — | |
| SCHEMBL6484490 | 0.68 | SLC6A3 (0.31) | — | |
| SCHEMBL6529800 | 0.68 | SLC6A3 (0.31) | — | |
| SCHEMBL95266 | 0.67 | SLC6A3 (0.36) | — | |
| SCHEMBL24212816 | 0.67 | — | — | |
| SCHEMBL1875667 | 0.65 | — | — | |
| SCHEMBL1869194 | 0.65 | — | — | |
| SCHEMBL5785839 | 0.65 | — | — | |
| SCHEMBL3794481 | 0.65 | DDB1 (0.30) | — | |
| SCHEMBL3791483 | 0.65 | DDB1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7265105-B2 | Pyrrolobenzodiazepines | SPIROGEN LIMITED (GB) | 2007-09-04 | — | — | US | disclosed |
| US-20060148788-A1 | Pyrrolobenzodiazepines | SPIROGEN LIMITED (GB) | 2006-07-06 | — | — | US | disclosed |
| US-7067511-B2 | Pyrrolobenzodiazepines | SPIROGEN LIMITED (GB) | 2006-06-27 | — | — | US | disclosed |
| US-7049311-B1 | Pyrrolbenzodiazepines | SPIROGEN LIMITED (GB) | 2006-05-23 | — | — | US | disclosed |
| EP-1109812-B1 | PYRROLOBENZODIAZEPINES | SPIROGEN LTD (GB) | 2005-05-04 | — | — | EP | disclosed |
| EP-1413582-A1 | Dimeric pyrrolobenzodiazepines | Spirogen Limited (GB) | 2004-04-28 | — | — | EP | disclosed |
| US-20030120069-A1 | Pyrrolobenzodiazepines | SPIROGEN LIMITED (GB) | 2003-06-26 | — | — | US | disclosed |
| EP-1193270-B1 | Pyrrolobenzodiazepines | SPIROGEN LTD (GB) | 2003-05-14 | — | — | EP | disclosed |
| EP-1193270-A2 | Pyrrolobenzodiazepines | Spirogen Limited (GB) | 2002-04-03 | — | — | EP | disclosed |