⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1057489 | 0.80 | — | — | |
| SCHEMBL1425908 | 0.80 | — | — | |
| SCHEMBL23721 | 0.78 | — | — | |
| SCHEMBL868391 | 0.78 | — | — | |
| SCHEMBL868487 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL29282854 | 0.76 | ALDH1A1 (0.55) | — | |
| SCHEMBL28290644 | 0.74 | — | — | |
| SCHEMBL3917366 | 0.73 | — | — | |
| SCHEMBL28048037 | 0.73 | — | — | |
| SCHEMBL27942097 | 0.73 | — | — |
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-109963848-A | Novel substituted N- (3-fluoropropyl) -pyrrolidine compounds, process for their preparation and their therapeutic use | 赛诺菲 | 2019-07-02 | — | — | CN | disclosed |
| CN-108366996-A | tetrahydro-1H-pyridine [3,4-b ] indole antiestrogens | 奥列马制药公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-108329311-A | The tricyclic compounds alternatively adjusted under property estrogen receptor and its application | 南京圣和药业股份有限公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-108299420-A | Five cyclics alternatively adjusted under property estrogen receptor and its application | 南京圣和药业股份有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-104822665-A | Fluoroalkyl and fluorocycloalkyl 1, 4-benzodiazepine ketone compounds useful as Notch inhibitors | BRISTOL MYERS SQUIBB CO | 2015-08-05 | — | — | CN | disclosed |
| US-20080206668-A1 | NEGATIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME | FUJIFILM CORPORATION (JP) | 2008-08-28 | — | — | US | disclosed |
| EP-1893581-A1 | SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES | Pfizer Limited (GB) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006134468-A1 | SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES | PFIZER LIMITED (GB) | 2006-12-21 | — | — | WO | disclosed |