⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7143369 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7744168 | 0.69 | — | — | |
| SCHEMBL4456499 | 0.63 | — | — | |
| SCHEMBL1997110 | 0.62 | — | — | |
| SCHEMBL9379580 | 0.55 | — | — | |
| SCHEMBL2349389 | 0.55 | TSHR (0.52) | — | |
| SCHEMBL1546681 | 0.55 | TSHR (0.52) | — | |
| SCHEMBL1546683 | 0.55 | TSHR (0.52) | — | |
| SCHEMBL17796262 | 0.55 | — | — | |
| SCHEMBL3946465 | 0.54 | NPC1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7553970-B2 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2009-06-30 | — | — | US | disclosed |
| US-20060264641-A1 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | BERENDES FRANK | 2006-11-23 | — | — | US | disclosed |
| US-20040181058-A1 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2004-09-16 | — | — | US | disclosed |