⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14355626 | 0.88 | — | — | |
| SCHEMBL14355598 | 0.72 | — | — | |
| SCHEMBL14355608 | 0.68 | TTBK1 (0.35) | — | |
| SCHEMBL14355606 | 0.67 | — | — | |
| SCHEMBL12955414 | 0.66 | PTPN11 (0.35) | — | |
| SCHEMBL14355610 | 0.65 | TRPA1 (0.35) | — | |
| SCHEMBL12056115 | 0.63 | HPGD (0.45) | — | |
| SCHEMBL14355601 | 0.62 | FLT4 (0.31) | — | |
| SCHEMBL9744466 | 0.56 | ALDH1A1 (0.41) | — | |
| SCHEMBL667038 | 0.55 | ADRA2A (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7300948-B2 | Alkynyl compounds as non nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-27 | — | — | US | disclosed |