⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28764344 | 0.76 | SIGMAR1 (0.32) | — | |
| SCHEMBL24700421 | 0.75 | SIGMAR1 (0.33) | — | |
| SCHEMBL24700444 | 0.75 | SIGMAR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL23123216 | 0.74 | SIGMAR1 (0.33) | — | |
| SCHEMBL27679730 | 0.73 | SIGMAR1 (0.36) | — | |
| SCHEMBL24106655 | 0.68 | CYP2C9 (0.32) | — | |
| SCHEMBL596929 | 0.64 | PIM1 (0.31) | — | |
| SCHEMBL13380453 | 0.64 | SIGMAR1 (0.33) | — | |
| SCHEMBL27772815 | 0.64 | HTR6 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28152915 | 0.63 | HTR6 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102958935-A | Macrocyclic integrase inhibitors | TIBOTEC PHARM LTD | 2013-03-06 | — | — | CN | disclosed |