⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18613758 | 0.81 | — | — | |
| SCHEMBL1014225 | 0.72 | — | — | |
| SCHEMBL9021638 | 0.71 | — | — | |
| SCHEMBL9021633 | 0.71 | — | — | |
| SCHEMBL8011686 | 0.71 | — | — | |
| SCHEMBL83544 | 0.70 | — | — | |
| SCHEMBL7749 | 0.69 | — | — | |
| SCHEMBL27542665 | 0.69 | — | — | |
| SCHEMBL20523131 | 0.69 | — | — | |
| SCHEMBL25286 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111171006-A | Process method of 3-substituted iminodibenzyl amino compound | 成都睿智化学研究有限公司 | 2020-05-19 | — | — | CN | disclosed |
| CN-111116446-A | Synthetic process method of 3-substituted-1H-pyrrole | 成都师范学院 | 2020-05-08 | — | — | CN | disclosed |
| CN-107074757-B | The manufacturing method of trifluoromethyl alkylthio chemical combination object | 组合化学工业株式会社 | 2019-05-03 | — | — | CN | disclosed |
| EP-3325446-A1 | SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS | Bayer CropScience Aktiengesellschaft (DE) | 2018-05-30 | — | — | EP | disclosed |
| CN-107074757-A | The manufacture method of trifluoromethyl alkylthio compound | 组合化学工业株式会社 | 2017-08-18 | — | — | CN | disclosed |