⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1172853 | 0.75 | STAT1 (0.31) | — | |
| SCHEMBL12506427 | 0.69 | STAT1 (0.32) | — | |
| SCHEMBL27583833 | 0.67 | — | — | |
| SCHEMBL11612723 | 0.63 | — | — | |
| SCHEMBL1119662 | 0.63 | — | — | |
| SCHEMBL13783341 | 0.61 | CNR2 (0.41) | — | |
| SCHEMBL30378162 | 0.59 | — | — | |
| SCHEMBL13061746 | 0.59 | NOS3 (0.31) | — | |
| SCHEMBL26828488 | 0.58 | — | — | |
| SCHEMBL26828318 | 0.57 | HSD11B1 (0.31) | — |
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-7102019-B2 | Cosmetic and pharmaceutical preparations comprising ascorbic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-05 | — | — | US | disclosed |
| US-6468444-B1 | DIANHYDROHEXITOL RESIDUE DERIVATIVES USED IN SKIN AND HAIR COSMETIC AND PHARMACEUTICAL PREPARATIONS FOR ULTRAVIOLET LIGHT PROTECTION | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-22 | — | — | US | disclosed |
| US-6346254-B1 | COSMETICS OR DRUGS WITH ASCORBIC ACID DERIVATIVES AND AMINES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-12 | — | — | US | disclosed |