⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30614422 | 0.98 | S1PR1 (0.46) | — | |
| SCHEMBL24168527 | 0.98 | S1PR1 (0.46) | — | |
| SCHEMBL3700919 | 0.98 | S1PR1 (0.46) | — | |
| SCHEMBL10885199 | 0.98 | S1PR1 (0.46) | — | |
| Bromide SCHEMBL722672 | 0.95 | S1PR1 (0.44) | — | |
| Bromide SCHEMBL7694598 | 0.95 | S1PR1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL8943049 | 0.95 | S1PR1 (0.44) | — | |
| SCHEMBL12799398 | 0.92 | — | — | |
| SCHEMBL4101518 | 0.92 | — | — | |
| SCHEMBL28888625 | 0.88 | S1PR1 (0.37) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3126451-B1 | AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS | HUGHES HOWARD MED INST (US) | 2020-09-09 | — | — | EP | disclosed |
| US-20190107534-A1 | AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS | HOWARD HUGHES MEDICAL INSTITUTE | 2019-04-11 | — | — | US | disclosed |
| US-10161932-B2 | Azetidine-substituted fluorescent compounds | HOWARD HUGHES MEDICAL INSTITUTE (US) | 2018-12-25 | — | — | US | disclosed |
| US-20180284105-A1 | AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS | HOWARD HUGHES MEDICAL INSTITUTE | 2018-10-04 | — | — | US | disclosed |
| US-10018624-B1 | Azetidine-substituted fluorescent compounds | HOWARD HUGHES MEDICAL INSTITUTE (US) | 2018-07-10 | — | — | US | disclosed |
| US-20180172677-A1 | AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS | HOWARD HUGHES MEDICAL INSTITUTE | 2018-06-21 | — | — | US | disclosed |
| US-9933417-B2 | Azetidine-substituted fluorescent compounds | HOWARD HUGHES MEDICAL INSTITUTE (US) | 2018-04-03 | — | — | US | disclosed |
| US-20170045501-A1 | AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS | HOWARD HUGHES MEDICAL INSTITUTE | 2017-02-16 | — | — | US | disclosed |
| WO-2012063120-A1 | UNDERLAYER DEVELOPABLE COATING COMPOSITIONS AND PROCESSES THEREOF | AZ ELECTRONIC MATERIALS USA CORP. (US) | 2012-05-18 | — | — | WO | disclosed |
| US-20120122029-A1 | Underlayer Developable Coating Compositions and Processes Thereof | AZ ELECTRONIC MATERIALS USA CORP. | 2012-05-17 | — | — | US | disclosed |
| EP-1071685-A4 | TITANIUM CATALYZED PREPARATION OF CARBAPENEM INTERMEDIATES | MERCK & CO INC (US) | 2001-07-18 | — | — | EP | disclosed |
| EP-1071685-A1 | TITANIUM CATALYZED PREPARATION OF CARBAPENEM INTERMEDIATES | Merck & Co., Inc. (US) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999052908-A1 | TITANIUM CATALYZED PREPARATION OF CARBAPENEM INTERMEDIATES | MERCK & CO., INC. (US) | 1999-10-21 | — | — | WO | disclosed |