⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14620063 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL4449479 | 0.67 | TDP1 (0.39) | — | |
| SCHEMBL8848894 | 0.65 | — | — | |
| SCHEMBL2115611 | 0.65 | — | — | |
| SCHEMBL8880345 | 0.65 | — | — | |
| SCHEMBL24839526 | 0.62 | — | — | |
| SCHEMBL11229137 | 0.62 | — | — | |
| Butanone SCHEMBL374977 | 0.61 | — | — | |
| SCHEMBL7670833 | 0.60 | — | — | |
| SCHEMBL7054552 | 0.60 | — | — |
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-5149522-A | Polyquaternary salt, sulfosuccinate, lauryl alcohol diglycol ether sulfate | WELLA AKTIENGESELLSCHAFT (DE) | 1992-09-22 | — | — | US | disclosed |
| US-5100656-A | Formic Acid Salt, Sorbic Acid or Salts, Surfactant, Phosphoric Acid or Organic Acid | WELLA AKTIENGESELLSCHAFT (DE) | 1992-03-31 | — | — | US | disclosed |
| US-4971784-A | DETERGENTS, ANTISEPTICS, BACTERICIDES, FUNGICIDES | WELLA AKTIENGESELLSCHAFT (DE) | 1990-11-20 | — | — | US | disclosed |
| US-4938950-A | Water solubility | WELLA AKTIENGESELLSCHAFT (DE) | 1990-07-03 | — | — | US | disclosed |
| US-4931271-A | HAIR CONDITIONERS, DYES, SHAMPOOS, PERMANENT WAVES; SKIN CREAMS | WELLA AKTIENGESELLSCHAFT (DE) | 1990-06-05 | — | — | US | disclosed |