⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2377334 | 0.77 | — | — | |
| SCHEMBL20194 | 0.72 | ENPP2 (0.50) | — | |
| SCHEMBL1490225 | 0.72 | F2 (0.41) | — | |
| SCHEMBL17804300 | 0.71 | HTR6 (0.43) | — | |
| SCHEMBL17290582 | 0.69 | ENPP2 (0.36) | — | |
| SCHEMBL167548 | 0.67 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL28108063 | 0.67 | CYP2A6 (0.44) | — | |
| Water SCHEMBL28104228 | 0.65 | — | — | |
| SCHEMBL2120 | 0.65 | — | — | |
| SCHEMBL818508 | 0.65 | HTR6 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105985361-B | Difluoro methylthiolation reagent, preparation method and applications | 中国科学院上海有机化学研究所 | 2018-02-16 | — | — | CN | disclosed |
| CN-101039904-B | Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders | ABBOTT GMBH & CO KG | 2014-09-24 | — | — | CN | disclosed |
| CN-102137841-A | Ortho-substituted haloalkylsulfonanilide derivative and herbicide | NISSAN CHEMICAL IND LTD | 2011-07-27 | — | — | CN | disclosed |
| CN-101421264-A | Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders | ABBOTT GMBH & CO KG (DE) | 2009-04-29 | — | — | CN | disclosed |