⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21789213 | 0.75 | — | — | |
| SCHEMBL10486710 | 0.72 | MAPT (0.34) | — | |
| SCHEMBL10486711 | 0.63 | PARG (0.38) | — | |
| SCHEMBL10891435 | 0.63 | PIK3CD (0.33) | — | |
| SCHEMBL10486698 | 0.61 | EPHX1 (0.34) | — | |
| SCHEMBL15471153 | 0.58 | MAPT (0.31) | — | |
| SCHEMBL11812227 | 0.57 | PSEN1 (0.35) | — | |
| SCHEMBL246883 | 0.57 | — | — | |
| SCHEMBL1046637 | 0.55 | — | — | |
| SCHEMBL14775148 | 0.55 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4831096-A | VARYING THERMAL STABILITIES | PENNWALT CORPORATION (US) | 1989-05-16 | — | — | US | disclosed |
| US-4604455-A | REACTING TWO PRIMARY AMINES WITH SULFURYL CHLORIDE, OXIDIZING MIXTURE OF SULFAMIDE PRODUCTS | PENNWALT CORPORATION (US) | 1986-08-05 | — | — | US | disclosed |
| US-4585857-A | HIGH YIELD AND PURITY | PENNWALT CORPORATION (US) | 1986-04-29 | — | — | US | disclosed |