⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17685653 | 0.81 | KMT2A (0.54) | — | |
| SCHEMBL17685654 | 0.81 | KMT2A (0.54) | — | |
| SCHEMBL11209396 | 0.78 | LSS (0.30) | — | |
| SCHEMBL2879141 | 0.75 | — | — | |
| SCHEMBL11150824 | 0.74 | TRPV4 (0.34) | — | |
| SCHEMBL27145502 | 0.74 | TRPV4 (0.34) | — | |
| SCHEMBL28877729 | 0.74 | TRPA1 (0.38) | — | |
| SCHEMBL3360214 | 0.73 | — | — | |
| SCHEMBL3461982 | 0.72 | — | — | |
| SCHEMBL3461980 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5827909-A | WATER IN OIL EMULSION STABILIZATION, HOMOGENIZING, SIMPLIFICATION; DECREASED PRESSURE DROP ACROSS MIXING ZONE | THE PROCTER & GAMBLE COMPANY (US) | 1998-10-27 | — | — | US | claimed |
| WO-1992006125-A1 | RADIATION-REACTIVE PHENYLBUTADIENE MULTIBLOCK COPOLYMERS | EXXON CHEMICAL PATENTS INC. (US) | 1992-04-16 | — | — | WO | disclosed |