⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2933925 | 0.85 | CYP1A2 (0.42) | — | |
| SCHEMBL4927326 | 0.81 | CYP1A2 (0.50) | — | |
| SCHEMBL30996494 | 0.80 | CYP1A2 (0.50) | — | |
| SCHEMBL3623089 | 0.80 | CYP2D6 (0.34) | — | |
| SCHEMBL2927985 | 0.79 | CYP1A2 (0.57) | — | |
| SCHEMBL12200658 | 0.78 | CYP1A2 (0.39) | — | |
| SCHEMBL29173080 | 0.78 | — | — | |
| SCHEMBL28215373 | 0.78 | CYP2D6 (0.35) | — | |
| SCHEMBL2927438 | 0.77 | CYP1A2 (0.56) | — | |
| SCHEMBL30915400 | 0.77 | CYP1A2 (0.56) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116375671-A | Preparation method of liquid crystal compound containing tetrahydropyran structure | 晶美晟光电材料（南京）有限公司 | 2023-07-04 | — | — | CN | disclosed |
| US-20220363632-A1 | Compounds Useful for Treating Liver Diseases | ABIONYX PHARMA SA (FR) | 2022-11-17 | — | — | US | disclosed |
| US-20210300890-A1 | Compounds Useful for Treating Liver Diseases | ABIONYX PHARMA SA (FR) | 2021-09-30 | — | — | US | disclosed |
| US-8173353-B2 | Sulfonium compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-05-08 | — | — | US | disclosed |
| US-8173353-B2 | Sulfonium compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-05-08 | — | — | US | disclosed |
| US-20100248135-A1 | SULFONIUM COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-09-30 | — | — | US | disclosed |
| US-20100248135-A1 | SULFONIUM COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-09-30 | — | — | US | disclosed |
| US-4283536-A | Preparation of vincadifformine and related derivatives | UNIVERSITY OF VERMONT (US) | 1981-08-11 | — | — | US | disclosed |
| US-4267330-A | CONDENSATION OF A HALO-, SULFOAKLOXY-, OR OPOXYALDEHYDE WITH A DIALKYL 1,2,3,4,5,6-HEXAHYDROAZEPINO/4,5-B/INDOLE-5,5-DICARBOXYLATE; ALKALOIDS | OMNIUM CHIMIQUE SOCIETE ANONYME (BE) | 1981-05-12 | — | — | US | disclosed |