⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1782998 | 0.91 | CHRNB2 (0.32) | — | |
| SCHEMBL466550 | 0.89 | KDM4E (0.32) | — | |
| SCHEMBL2819147 | 0.86 | — | — | |
| SCHEMBL929207 | 0.84 | CHKA (0.31) | — | |
| Hydrochloric Acid SCHEMBL11301415 | 0.83 | CHKA (0.30) | — | |
| SCHEMBL7877977 | 0.82 | — | — | |
| SCHEMBL6406381 | 0.67 | CHRNB2 (0.33) | — | |
| SCHEMBL13572333 | 0.67 | — | — | |
| SCHEMBL3810433 | 0.65 | HTR2C (0.40) | — | |
| SCHEMBL860227 | 0.64 | HRH1 (0.41) | — |
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-11076600-B2 | Mixtures of cis-jasmone and bacillus amyloliquefaciens | BASF SE (DE) | 2021-08-03 | — | — | US | claimed |
| WO-2019175713-A1 | NEW CATECHOL MOLECULES AND THEIR USE AS INHIBITORS TO P450 RELATED METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | claimed |
| US-20180317498-A1 | Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens | BASF SE (DE) | 2018-11-08 | — | — | US | claimed |
| WO-2023073604-A1 | METHODS AND COMPOSITION FOR CONTROLLING PESTS | UPL Corporation Limited (MU) | 2023-05-04 | — | — | WO | disclosed |
| US-11076600-B2 | Mixtures of cis-jasmone and bacillus amyloliquefaciens | BASF SE (DE) | 2021-08-03 | — | — | US | disclosed |
| WO-2020064492-A1 | METHOD OF CONTROLLING PESTS BY SEED TREATMENT APPLICATION OF A MESOIONIC COMPOUND OR MIXTURE THEREOF | BASF SE (DE) | 2020-04-02 | — | — | WO | disclosed |
| WO-2019175713-A1 | NEW CATECHOL MOLECULES AND THEIR USE AS INHIBITORS TO P450 RELATED METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |
| WO-2019175712-A1 | NEW USES FOR CATECHOL MOLECULES AS INHIBITORS TO GLUTATHIONE S-TRANSFERASE METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |
| US-20180317498-A1 | Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens | BASF SE (DE) | 2018-11-08 | — | — | US | disclosed |