⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13716093 | 0.75 | — | — | |
| SCHEMBL15358777 | 0.73 | — | — | |
| SCHEMBL22175507 | 0.73 | — | — | |
| SCHEMBL19451680 | 0.72 | — | — | |
| SCHEMBL23519777 | 0.69 | — | — | |
| SCHEMBL6883710 | 0.69 | — | — | |
| SCHEMBL20880651 | 0.67 | — | — | |
| SCHEMBL13762809 | 0.67 | — | — | |
| SCHEMBL24175014 | 0.67 | — | — | |
| SCHEMBL17918491 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9732051-B2 | Isothiazoline compounds for combating invertebrate pests | BASF SE (DE) | 2017-08-15 | — | — | US | disclosed |
| US-20160355466-A1 | CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS | BASF SE (DE) | 2016-12-08 | — | — | US | disclosed |
| US-20160297808-A1 | Thiophene- or furan-substituted isothiazoline Compounds as Pesticides | MERIAL, INC. (US) | 2016-10-13 | — | — | US | disclosed |
| US-20160145223-A1 | Bicyclyl-Substituted Isothiazoline Compounds | BASF SE (DE) | 2016-05-26 | — | — | US | disclosed |
| WO-2015164614-A1 | JANUS KINASE INHIBITORS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2015-10-29 | — | — | WO | disclosed |
| US-9067928-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2015-06-30 | — | — | US | disclosed |
| US-20150065343-A1 | Acrylamide compounds for combating invertebrate pests | BASF SE (DE) | 2015-03-05 | — | — | US | disclosed |
| US-20140364466-A1 | Isothiazoline compounds for combating invertebrate pests | BASF SE (DE) | 2014-12-11 | — | — | US | disclosed |