⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3847161 | 0.86 | — | — | |
| SCHEMBL1967238 | 0.78 | — | — | |
| SCHEMBL2991311 | 0.78 | — | — | |
| SCHEMBL29866063 | 0.78 | — | — | |
| SCHEMBL9821091 | 0.78 | — | — | |
| SCHEMBL24754580 | 0.78 | — | — | |
| SCHEMBL4070003 | 0.78 | — | — | |
| SCHEMBL2426393 | 0.78 | — | — | |
| SCHEMBL10210464 | 0.78 | — | — | |
| SCHEMBL14752921 | 0.78 | — | — |
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-104284974-B | Recombinant host cells for the production of malonate | 利戈斯股份有限公司 | 2018-06-26 | — | — | CN | disclosed |
| CN-105593232-B | Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors | 华北制药集团新药研究开发有限责任公司 | 2018-06-26 | — | — | CN | disclosed |
| CN-107586732-A | For producing the recombinant host cell of malonic acid | 利戈斯股份有限公司 | 2018-01-16 | — | — | CN | disclosed |
| CN-105732619-B | A kind of synthetic method of 5,6,7,8 tetrahydropyridines simultaneously [2,3 d] pyrimidines | 华南理工大学 | 2017-06-06 | — | — | CN | disclosed |
| CN-106794181-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions | 托马斯·黑勒戴药物研究基金会 | 2017-05-31 | — | — | CN | disclosed |
| CN-105593232-A | Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors | NORTH CHINA PHARMACEUTICAL NEW DRUG R & D CO LTD | 2016-05-18 | — | — | CN | disclosed |
| CN-104284974-A | Recombinant host cells for the production of malonate | LYGOS INC | 2015-01-14 | — | — | CN | disclosed |