⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12052674 | 0.89 | TDP1 (0.46) | — | |
| SCHEMBL4592120 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL14697765 | 0.88 | — | — | |
| SCHEMBL176589 | 0.86 | CA2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL11534985 | 0.84 | CA1 (0.35) | — | |
| SCHEMBL6184435 | 0.83 | RORC (0.31) | — | |
| SCHEMBL3886688 | 0.82 | PHGDH (0.46) | — | |
| SCHEMBL15014595 | 0.80 | MEN1 (0.36) | — | |
| SCHEMBL2918647 | 0.75 | — | — | |
| SCHEMBL25623859 | 0.72 | THRA (0.33) | — |
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-5952328-A | MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES | CEPHALON, INC. (US) | 1999-09-14 | — | — | US | disclosed |
| WO-1991005549-A1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | WO | disclosed |