⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8434263 | 0.98 | — | — | |
| SCHEMBL8435799 | 0.80 | HDAC4 (0.31) | — | |
| SCHEMBL8434579 | 0.80 | HDAC4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8438947 | 0.78 | HDAC4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8433618 | 0.78 | HDAC4 (0.30) | — | |
| SCHEMBL8433805 | 0.75 | NOTUM (0.57) | — | |
| Hydrochloric Acid SCHEMBL8437873 | 0.74 | NOTUM (0.56) | — | |
| SCHEMBL1913015 | 0.74 | GCGR (0.35) | — | |
| SCHEMBL8433601 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL8433423 | 0.73 | TDP1 (0.45) | — |
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-5874585-A | TREATMENT AND/OR PREVENTION OF ELASTASE-MEDIATED PROBLEMS SUCH AS ARTHRITIS, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, DERMATITIS, PSORIASIS, CYSTIC FIBROSIS, CHRONIC BRONCHITIS, ALZHEIMER'S DISEASE | CORTECH, INC. (US) | 1999-02-23 | — | — | US | disclosed |