⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26774543 | 0.82 | BCHE (0.41) | — | |
| SCHEMBL26774553 | 0.82 | BCHE (0.41) | — | |
| SCHEMBL25395080 | 0.82 | — | — | |
| SCHEMBL27564583 | 0.82 | — | — | |
| SCHEMBL28611423 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL2125922 | 0.77 | CHRM2 (0.42) | — | |
| SCHEMBL28303143 | 0.77 | CHRM2 (0.42) | — | |
| SCHEMBL2318528 | 0.76 | BCHE (0.58) | — | |
| SCHEMBL8818292 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL2320522 | 0.76 | NAAA (0.59) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113387841-A | Synthetic method of shakubiqu intermediate | 凯特立斯（深圳）科技有限公司 | 2021-09-14 | — | — | CN | disclosed |
| US-20150315389-A1 | ANTIMICROBIAL SURFACE COATINGS | OXISCIENCE WA, LLC | 2015-11-05 | — | — | US | disclosed |
| CN-101371193-B | Photolithographic systems and methods for producing sub-diffraction-limited features | MICRON TECHNOLOGY INC | 2013-01-16 | — | — | CN | disclosed |
| CN-101371193-A | Photolithographic systems and methods for producing sub-diffraction-limited features | MICRON TECHNOLOGY INC (US) | 2009-02-18 | — | — | CN | disclosed |
| US-6835420-B1 | A binding agent containing at least two functional groups which can enter into thermal crosslinking reaction with complementary functional groups in a crosslinking agent, and a crosslinker with two functional groups | BASF COATINGS AC (DE) | 2004-12-28 | — | — | US | disclosed |