⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8459458 | 1.00 | TRPV1 (0.31) | — | |
| SCHEMBL8453338 | 1.00 | TRPV1 (0.31) | — | |
| SCHEMBL8459228 | 1.00 | TRPV1 (0.31) | — | |
| SCHEMBL11163355 | 1.00 | TRPV1 (0.31) | — | |
| SCHEMBL11184288 | 0.97 | — | — | |
| SCHEMBL580161 | 0.88 | — | — | |
| SCHEMBL622595 | 0.84 | TRPV1 (0.32) | — | |
| SCHEMBL4583888 | 0.79 | TRPV1 (0.32) | — | |
| SCHEMBL19411335 | 0.79 | — | — | |
| SCHEMBL6512494 | 0.79 | FFAR4 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5872272-A | POLYDIMETHYLSILOXANES WITH PHOSPHATE SALTS | KAO CORPORATION (JP) | 1999-02-16 | — | — | US | disclosed |
| EP-0741558-B1 | HAIR COSMETIC COMPOSITION | KAO CORP (JP) | 1998-07-15 | — | — | EP | disclosed |
| EP-0675891-B1 | POLYVALENT METAL SALTS OF PHOSPHORIC DIESTER AND ORGANO(POLY)SILOXANES MODIFIED WITH POLYVALENT METAL SALT OF PHOSPHORIC DIESTER | KAO CORP (JP) | 1997-03-12 | — | — | EP | disclosed |
| EP-0741558-A1 | HAIR COSMETIC COMPOSITION | Kao Corporation (JP) | 1996-11-13 | — | — | EP | disclosed |
| EP-0675891-A1 | POLYVALENT METAL SALTS OF PHOSPHORIC DIESTER AND ORGANO(POLY)SILOXANES MODIFIED WITH POLYVALENT METAL SALT OF PHOSPHORIC DIESTER. | KAO CORP (JP) | 1995-10-11 | — | — | EP | disclosed |
| WO-1995023579-A2 | HAIR COSMETIC COMPOSITION | KAO CORPORATION (JP) | 1995-09-08 | — | — | WO | disclosed |
| WO-1994014822-A1 | POLYVALENT METAL SALTS OF PHOSPHORIC DIESTER AND ORGANO(POLY)SILOXANES MODIFIED WITH POLYVALENT METAL SALT OF PHOSPHORIC DIESTER | KAO CORPORATION (JP) | 1994-07-07 | — | — | WO | disclosed |