⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1162100 | 0.73 | — | — | |
| SCHEMBL69159 | 0.73 | ALDH1A1 (0.58) | — | |
| SCHEMBL399760 | 0.71 | — | — | |
| SCHEMBL159280 | 0.71 | — | — | |
| SCHEMBL31622301 | 0.71 | ALDH1A1 (0.56) | — | |
| SCHEMBL1532037 | 0.71 | — | — | |
| SCHEMBL930387 | 0.71 | — | — | |
| SCHEMBL784001 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL29161457 | 0.71 | ALDH1A1 (0.56) | — | |
| SCHEMBL29779501 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000047194-A9 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | DIMENSIONAL PHARM INC (US) | 2001-05-31 | — | — | WO | disclosed |