⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9863506 | 0.89 | — | — | |
| SCHEMBL9863505 | 0.85 | EPHX1 (0.51) | — | |
| SCHEMBL9691792 | 0.85 | EPHX1 (0.51) | — | |
| SCHEMBL9863521 | 0.81 | DNM1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL9863422 | 0.81 | — | — | |
| SCHEMBL9863519 | 0.80 | GMNN (0.44) | — | |
| SCHEMBL9863501 | 0.80 | — | — | |
| SCHEMBL9863401 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9863474 | 0.78 | — | — | |
| SCHEMBL9863810 | 0.76 | EPHX1 (0.56) | — |
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-5025005-A | Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-18 | — | — | US | disclosed |
| US-4737518-A | ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-04-12 | — | — | US | disclosed |