⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20047858 | 0.82 | — | — | |
| SCHEMBL775489 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL2069043 | 0.71 | — | — | |
| SCHEMBL265333 | 0.71 | — | — | |
| SCHEMBL24022301 | 0.69 | — | — | |
| SCHEMBL20048256 | 0.69 | — | — | |
| SCHEMBL7967776 | 0.69 | — | — | |
| SCHEMBL21097677 | 0.68 | — | — | |
| SCHEMBL4700450 | 0.67 | — | — | |
| SCHEMBL12486882 | 0.67 | — | — |
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-20170258934-A1 | PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES | OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. | 2017-09-14 | — | — | US | disclosed |
| US-20170239365-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | MEDIMMUNE LIMITED (GB) | 2017-08-24 | — | — | US | disclosed |
| US-9649390-B2 | Pyrrolobenzodiazepines and conjugates thereof | MEDIMMUNE LIMITED (GB) | 2017-05-16 | — | — | US | disclosed |
| US-9598503-B2 | Methods and systems for polymer precipitation and generation of particles | CERULEAN PHARMA INC. (US) | 2017-03-21 | — | — | US | disclosed |
| US-20160144052-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | SPIROGEN LIMITED (GB) | 2016-05-26 | — | — | US | disclosed |
| US-20160031887-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | SPIROGEN LIMITED (GB) | 2016-02-04 | — | — | US | disclosed |
| US-20140294868-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | MEDIMMUNE LIMITED (GB) | 2014-10-02 | — | — | US | disclosed |
| US-20120136175-A1 | PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2441751-A1 | PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS | Sumitomo Seika Chemicals CO. LTD. (JP) | 2012-04-18 | — | — | EP | disclosed |