⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16389750 | 0.72 | — | — | |
| SCHEMBL28467161 | 0.72 | MTNR1A (0.33) | — | |
| SCHEMBL372475 | 0.71 | CYP1A2 (0.30) | — | |
| SCHEMBL231393 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3624938 | 0.71 | DNM1 (0.31) | — | |
| Bromide SCHEMBL3626984 | 0.71 | DNM1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL10437282 | 0.69 | — | — | |
| SCHEMBL372486 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL5799270 | 0.69 | — | — | |
| SCHEMBL1142675 | 0.69 | — | — |
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-6800413-B2 | LOADING/REACTING HYDROPHILIC PYROGENIC SILICA WITH SILYLATING AGENT (METHYLTRICHLOROSILANE), THEN PURIFYING WITH INERT GAS | WACKER-CHEMIE GMBH (DE) | 2004-10-05 | — | — | US | disclosed |
| US-20030138715-A1 | Low-silanol silica | WACKER-CHEMIE GMBH (DE) | 2003-07-24 | — | — | US | disclosed |