⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28177105 | 0.92 | — | — | |
| SCHEMBL9939735 | 0.85 | — | — | |
| SCHEMBL1562475 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL2807493 | 0.70 | — | — | |
| SCHEMBL20893445 | 0.69 | THRB (0.32) | — | |
| SCHEMBL114660 | 0.68 | — | — | |
| Boric Acid SCHEMBL28422544 | 0.67 | BTN3A1 (0.32) | — | |
| Boric Acid SCHEMBL362365 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL21776612 | 0.67 | — | — | |
| SCHEMBL471023 | 0.66 | — | — |
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-110312713-A | Process for preparing tetrahydrocarbazole carboxamide compounds | 百时美施贵宝公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-109880104-A | A kind of preparation method of phosphorus system organic silicon type fire retardant | 普信氟硅新材料（衢州）有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-106164076-B | Compound as ROS1 inhibitor | 詹森药业有限公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-108779119-A | Pyrimidines and variants thereof, and uses thereof | 传入制药公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-108503652-A | A kind of fully synthetic preparation method of chemistry of crotons alkane diterpene Prostratin | 西安交通大学 | 2018-09-07 | — | — | CN | disclosed |
| CN-108026077-A | PHENOXYMETHYL DERIVATIVES | 豪夫迈·罗氏有限公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107446135-A | A kind of dynamic aggregation thing with dynamic crosslinking structure | 翁秋梅 | 2017-12-08 | — | — | CN | disclosed |
| CN-106164076-A | As be replaced the 4 of ROS1 inhibitor, 5,6,7 tetrahydro-pyrazoles also [1,5 a] pyrazines derivatives and 5,6,7,8 tetrahydrochysene 4H pyrazolo [1,5 a] [Isosorbide-5-Nitrae] diazacyclo heptantriene derivants | 詹森药业有限公司 | 2016-11-23 | — | — | CN | disclosed |