⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8539819 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL387427 | 0.82 | — | — | |
| SCHEMBL27977770 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL27977760 | 0.75 | — | — | |
| SCHEMBL847849 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL27490540 | 0.71 | — | — | |
| SCHEMBL692329 | 0.71 | — | — | |
| SCHEMBL10598059 | 0.71 | — | — | |
| SCHEMBL28279495 | 0.69 | — | — | |
| SCHEMBL130422 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105611970-A | Body care composition | BASF SE | 2016-05-25 | — | — | CN | claimed |
| CN-108026235-A | Prepare the batch process of the optical goods of molding | PPG工业俄亥俄公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-105611970-A | Body care composition | BASF SE | 2016-05-25 | — | — | CN | disclosed |
| CN-102906143-B | Polythiourethane polymerizing catalyst, polymerizable liquid composition and preparation have the method for the organosilane polysulfide ammonia ester glass of high refractive index | MITSUI CHEMICALS, INC. (JP) | 2015-12-16 | — | — | CN | disclosed |
| CN-102906143-A | A polymerization catalyst for polythiourethanes, polymerizable liquid composition and process for the production of organic polythiourethane glass with a high refractive index | ACOMON AG | 2013-01-30 | — | — | CN | disclosed |
| US-5719155-A | CARDIOVASCULAR DISORDERS | JAPAN TOBACCO INC. (JP) | 1998-02-17 | — | — | US | disclosed |
| EP-0677519-A1 | CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF | Japan Tobacco Inc. (JP) | 1995-10-18 | — | — | EP | disclosed |