⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9724618 | 0.84 | KDM4E (0.50) | — | |
| SCHEMBL349631 | 0.78 | — | — | |
| SCHEMBL33703 | 0.78 | — | — | |
| Guanidine SCHEMBL27115146 | 0.75 | LMNA (0.45) | — | |
| SCHEMBL6843892 | 0.75 | — | — | |
| Bromide SCHEMBL27402570 | 0.75 | — | — | |
| SCHEMBL2992150 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL2950547 | 0.75 | — | — | |
| SCHEMBL1735081 | 0.73 | — | — | |
| Trimethylammonium SCHEMBL27293744 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1234707-C | Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science | CHINESE PHARMACEUTICAL UNIVERS (CN) | 2006-01-04 | — | — | CN | claimed |
| CN-1439641-A | Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science | CHINESE PHARMACEUTICAL UNIV (CN) | 2003-09-03 | — | — | CN | claimed |
| CN-119855820-A | Camptothecins compound and its preparation method and use | 上海齐鲁制药研究中心有限公司 | 2025-04-18 | — | — | CN | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |
| CN-1234707-C | Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science | CHINESE PHARMACEUTICAL UNIVERS (CN) | 2006-01-04 | — | — | CN | disclosed |
| CN-1439641-A | Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science | CHINESE PHARMACEUTICAL UNIV (CN) | 2003-09-03 | — | — | CN | disclosed |