⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27964871 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28015178 | 0.98 | CHRM2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL21801323 | 0.98 | CHRM2 (0.38) | — | |
| SCHEMBL27795244 | 0.93 | CHRM2 (0.38) | — | |
| SCHEMBL22830547 | 0.93 | CHRM2 (0.38) | — | |
| SCHEMBL27607431 | 0.91 | CHRM2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL28784979 | 0.91 | CHRM2 (0.37) | — | |
| Propionic Acid SCHEMBL28044762 | 0.89 | FFAR3 (0.36) | — | |
| SCHEMBL6563476 | 0.83 | — | — | |
| SCHEMBL27731852 | 0.81 | KMT2A (0.40) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105524257-A | Ketone group-containing full-biobased polyester and preparation method therefor | DALIAN INST CHEMICAL PHYSICS CAS | 2016-04-27 | — | — | CN | claimed |
| CN-110536705-A | Compositions and methods for cancer imaging and radiotherapy | VECT HORUS | 2019-12-03 | — | — | CN | disclosed |
| CN-105050612-B | Composition and method for medicine delivery | 维克特-霍鲁斯公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-105524257-A | Ketone group-containing full-biobased polyester and preparation method therefor | DALIAN INST CHEMICAL PHYSICS CAS | 2016-04-27 | — | — | CN | disclosed |
| CN-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |
| CN-105377817-A | Amine salts of pitavastatin and rosuvastatin | DSM SINOCHEM PHARM NL BV | 2016-03-02 | — | — | CN | disclosed |
| CN-105189458-A | Amine salts of pitavastatin and rosuvastatin | DSM SINOCHEM PHARM NL BV | 2015-12-23 | — | — | CN | disclosed |
| CN-101316809-B | Process for producing alpha,beta-unsaturated aldehyde compounds | KAO CORP | 2012-07-25 | — | — | CN | disclosed |
| CN-101679297-B | LXR and FXR modulators | EXELIXIS INC | 2012-01-11 | — | — | CN | disclosed |
| CN-101679297-A | lxr and fxr modulators | EXELIXIS INC | 2010-03-24 | — | — | CN | disclosed |
| CN-101316809-A | Process for producing alpha,beta-unsaturated aldehyde compounds | KAO CORP (JP) | 2008-12-03 | — | — | CN | disclosed |
| CN-100391967-C | Hepatitis C tripeptide inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2008-06-04 | — | — | CN | disclosed |
| CN-101001854-A | Highly selective novel amidation method | TAKEDA PHARMACEUTICAL (JP) | 2007-07-18 | — | — | CN | disclosed |
| CN-1531547-A | Hepatitis C tripeptide inhibitors | ж� | 2004-09-22 | — | — | CN | disclosed |