⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7706396 | 0.79 | CTSS (0.35) | — | |
| SCHEMBL23142398 | 0.76 | GRM2 (0.30) | — | |
| SCHEMBL28286159 | 0.71 | RNPEP (0.35) | — | |
| SCHEMBL14440875 | 0.69 | CTSL (0.31) | — | |
| SCHEMBL8168571 | 0.69 | DPP4 (0.33) | — | |
| SCHEMBL7703902 | 0.69 | GRM2 (0.34) | — | |
| SCHEMBL3542106 | 0.69 | CTSS (0.34) | — | |
| SCHEMBL8164857 | 0.68 | GRM2 (0.32) | — | |
| SCHEMBL8169580 | 0.67 | CTSS (0.35) | — | |
| SCHEMBL28279666 | 0.67 | CTSS (0.33) | — |
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-6143684-A | FOR STEREOSPECIFIC POLYMERIZATION OF OLEFINS SUCH AS PROPYLENE | MONTELL TECHNOLOGY COMPANY B.V. (NL) | 2000-11-07 | — | — | US | claimed |