⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2453624 | 0.84 | — | — | |
| SCHEMBL9693380 | 0.76 | — | — | |
| SCHEMBL13061933 | 0.60 | — | — | |
| SCHEMBL2453625 | 0.59 | — | — | |
| SCHEMBL25410272 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL458291 | 0.59 | — | — | |
| SCHEMBL31734201 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL31220768 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL4751281 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL11584271 | 0.57 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6544499-B1 | Polysiloxane or silicone resin, a linker, and a molecular hook for treating amino acid based substrates; hair care | THE PROCTER & GAMBLE COMPANY | 2003-04-08 | — | — | US | disclosed |
| US-20020012639-A1 | May be used in hair care, textile care, cosmetics, oral care formulations, skin, nail, laundry, acne care formulations | PROCTER & GAMBLE COMPANY, THE | 2002-01-31 | — | — | US | disclosed |
| EP-1143916-A2 | TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS | THE PROCTER & GAMBLE COMPANY (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000040210-A2 | TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS | THE PROCTER & GAMBLE COMPANY (US) | 2000-07-13 | — | — | WO | disclosed |