⚠ 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 | |
|---|---|---|---|---|
| L-Alaninol SCHEMBL72189 | 1.00 | — | — | |
| L-Alaninol SCHEMBL30417235 | 1.00 | — | — | |
| L-Alaninol SCHEMBL82137 | 1.00 | — | — | |
| L-Alaninol SCHEMBL30499 | 1.00 | — | — | |
| L-Alaninol SCHEMBL2804901 | 1.00 | TSHR (0.54) | — | |
| L-Alaninol SCHEMBL7787362 | 1.00 | TSHR (0.54) | — | |
| L-Alaninol SCHEMBL1055334 | 0.96 | — | — | |
| L-Alaninol SCHEMBL16212089 | 0.96 | — | — | |
| L-Alaninol SCHEMBL22710985 | 0.96 | — | — | |
| L-Alaninol SCHEMBL8093475 | 0.96 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |