⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14391503 | 0.75 | — | — | |
| SCHEMBL20145700 | 0.74 | — | — | |
| SCHEMBL21784455 | 0.74 | — | — | |
| SCHEMBL19833421 | 0.74 | — | — | |
| SCHEMBL21864795 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL20684577 | 0.72 | — | — | |
| SCHEMBL13190048 | 0.72 | — | — | |
| SCHEMBL20627511 | 0.72 | — | — | |
| SCHEMBL14367668 | 0.71 | — | — | |
| SCHEMBL16316996 | 0.71 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220030868-A1 | FUNGICIDAL HALOMETHYL KETONES AND HYDRATES | FMC CORPORATION | 2022-02-03 | — | — | US | disclosed |
| WO-2018086703-A1 | DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |
| US-20170320860-A1 | HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. | 2017-11-09 | — | — | US | disclosed |
| US-9502656-B2 | Organic electroluminescent materials and devices | UNIVERSAL DISPLAY CORPORATION (US) | 2016-11-22 | — | — | US | disclosed |
| US-20150243893-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2015-08-27 | — | — | US | disclosed |
| US-20150207082-A1 | ORGANIC MATERIALS FOR OLEDS | UNIVERSAL DISPLAY CORPORATION (US) | 2015-07-23 | — | — | US | disclosed |
| EP-2445909-B1 | DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES | BOEHRINGER INGELHEIM INT (DE) | 2013-11-13 | — | — | EP | disclosed |
| EP-1379510-B1 | ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHEMOSENSITIZERS | ICOS CORP (US) | 2011-06-01 | — | — | EP | disclosed |