⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14955824 | 0.81 | SLC6A2 (0.30) | — | |
| SCHEMBL3206075 | 0.81 | — | — | |
| SCHEMBL28950124 | 0.79 | — | — | |
| SCHEMBL8341749 | 0.77 | SLC22A6 (0.36) | — | |
| SCHEMBL9936104 | 0.77 | — | — | |
| SCHEMBL436748 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL1646156 | 0.75 | — | — | |
| SCHEMBL1713184 | 0.75 | — | — | |
| SCHEMBL27853477 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28177591 | 0.74 | AKR1B1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6500981-B1 | REACTION PRODUCT OF 3,5-EPOXY-1-BUTENE AND SODIUM BISULFITE FOR PRODUCTION OF SELF DISPERSING AMPHOLYTE HOMO- AND COPOLYMERS FOR TREATMENT OF HAIR, SKIN, NAILS; PERMANENT ATNISTATICS | ETHOX CHEMICALS LLC | 2002-12-31 | — | — | US | disclosed |
| CN-1066745-C | Process for the preparation of polyaddition products containing metdione groups, and their use in polyurethane coating systems | DEGUSSA (DE) | 2001-06-06 | — | — | CN | disclosed |
| CN-1112138-A | Process for the preparation of polyaddition products containing metdione groups, and their use in polyurethane coating systems | HUELS CHEMISCHE WERKE AG (DE) | 1995-11-22 | — | — | CN | disclosed |
| US-5221443-A | Electrodialysis | BASF AKTIENGESELLSCHAFT (DE) | 1993-06-22 | — | — | US | disclosed |
| EP-0492209-A1 | Process for releasing organic sulphonic acids | BASF Aktiengesellschaft (DE) | 1992-07-01 | — | — | EP | disclosed |