⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3407 | 0.56 | — | — | |
| SCHEMBL9930328 | 0.52 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.52 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 0.52 | — | — | |
| SCHEMBL128723 | 0.52 | — | — | |
| SCHEMBL39492 | 0.52 | — | — | |
| SCHEMBL3138700 | 0.52 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.52 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL788666 | 0.52 | ALDH1A1 (0.46) | — | |
| SCHEMBL95726 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113348164-B | Preparation method and intermediate of fused tricyclic derivative | 四川海思科制药有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-113348164-A | Preparation method and intermediate of fused tricyclic derivative | 四川海思科制药有限公司 | 2021-09-03 | — | — | CN | disclosed |
| WO-2020155952-A1 | PREPARATION METHOD FOR FUSED TRICYCLIC DERIVATIVE AND INTERMEDIATE | 四川海思科制药有限公司 | 2020-08-06 | — | — | WO | disclosed |
| CN-107108483-B | Preparation method and intermediate of 2- [ 1-cycloalkylethyl ] phenol | 四川海思科制药有限公司 | 2020-05-22 | — | — | CN | disclosed |
| CN-107074675-B | Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol | 四川海思科制药有限公司 | 2019-12-20 | — | — | CN | disclosed |
| CN-105837406-B | A kind of preparation method of 2- (1- cycloalkylethyls) phenol derivatives | 四川海思科制药有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-107108483-A | A kind of Preparation Method And Their Intermediate of 2 [1 cycloalkylethyl] phenol | 四川海思科制药有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-107074675-A | Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol | 四川海思科制药有限公司 | 2017-08-18 | — | — | CN | disclosed |