⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1072392 | 1.00 | MEN1 (0.30) | — | |
| SCHEMBL861771 | 0.89 | NPC1 (0.37) | — | |
| SCHEMBL2204113 | 0.88 | — | — | |
| SCHEMBL9308707 | 0.88 | — | — | |
| SCHEMBL11859966 | 0.87 | — | — | |
| SCHEMBL861622 | 0.86 | CHRNB2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL11868810 | 0.84 | CHRNB2 (0.38) | — | |
| SCHEMBL861272 | 0.82 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL3750098 | 0.82 | USP2 (0.43) | — | |
| SCHEMBL861983 | 0.80 | NPC1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-60123460-A | — | — | None | — | — | JP | disclosed |
| US-6348530-B1 | HEAT CURABLE AQUEOUS COMPOSITION OF ACRYLIC ACID DERIVATIVE POLYMERS FORMED BY FREE RADICAL POLYMERIZATION | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-19 | — | — | US | disclosed |
| US-6299936-B1 | USED AS BINDERS FOR SHAPED ARTICLES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-09 | — | — | US | disclosed |
| US-6114464-A | FORMALDEHYDE-FREE BINDER FOR CHIPBOARDS, FIBERBOARDS, INSULATION OR FIBER WEBS | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-05 | — | — | US | disclosed |
| JP-S60123460-A | PRODUCTION OF TAURINE DERIVATIVE | SOGO YATSUKOU KK | 1985-07-02 | — | — | JP | disclosed |