⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17652483 | 0.85 | — | — | |
| SCHEMBL222968 | 0.74 | — | — | |
| SCHEMBL1263495 | 0.72 | — | — | |
| SCHEMBL9265543 | 0.69 | — | — | |
| SCHEMBL5690032 | 0.69 | — | — | |
| SCHEMBL28630857 | 0.67 | — | — | |
| SCHEMBL1719618 | 0.65 | — | — | |
| SCHEMBL11788670 | 0.65 | — | — | |
| SCHEMBL5690031 | 0.65 | — | — | |
| SCHEMBL6931939 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115463043-A | Oral care composition and mouthwash | 克劳丽化妆品股份有限公司 | 2022-12-13 | — | — | CN | claimed |
| US-10231970-B2 | Methods of producing heteropolycycles via bis-epoxidation | NV Heterocycles (US) | 2019-03-19 | — | — | US | disclosed |
| US-9937172-B2 | Mixtures of heteropolycycles | LIGHTNER DEREK ALTON (US) | 2018-04-10 | — | — | US | disclosed |
| US-20170305907-A1 | METHODS OF PRODUCING HETEROPOLYCYCLES VIA BIS-EPOXIDATION | LIGHTNER DEREK ALTON (US) | 2017-10-26 | — | — | US | disclosed |
| US-20160158229-A1 | Mixtures of Heteropolycycles | LIGHTNER DEREK ALTON (US) | 2016-06-09 | — | — | US | disclosed |
| WO-2016054123-A1 | METHODS OF PRODUCING HETEROPOLYCYCLES VIA BIS-EPOXIDATION | LIGHTNER DEREK (US) | 2016-04-07 | — | — | WO | disclosed |