⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3922771 | 0.78 | — | — | |
| SCHEMBL6852628 | 0.78 | — | — | |
| SCHEMBL19857078 | 0.78 | — | — | |
| SCHEMBL4289370 | 0.77 | SPHK1 (0.35) | — | |
| SCHEMBL28110385 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL17275358 | 0.76 | LTA4H (0.38) | — | |
| Hydrochloric Acid SCHEMBL28150961 | 0.76 | GABRP (0.42) | — | |
| Hydrochloric Acid SCHEMBL17275361 | 0.76 | LTA4H (0.38) | — | |
| Hydrochloric Acid SCHEMBL28150962 | 0.76 | GABRP (0.42) | — | |
| SCHEMBL18383585 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007111961-A2 | METHOD FOR ESTIMATING PROTEIN-PROTEIN BINDING AFFINITIES | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2007-10-04 | — | — | WO | disclosed |