⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7453541 | 0.75 | METAP2 (0.32) | — | |
| SCHEMBL2102283 | 0.75 | IDO1 (0.30) | — | |
| SCHEMBL18367720 | 0.69 | LMNA (0.34) | — | |
| SCHEMBL2160199 | 0.68 | CDC25A (0.38) | — | |
| SCHEMBL3759085 | 0.68 | — | — | |
| SCHEMBL3350242 | 0.67 | — | — | |
| SCHEMBL9381068 | 0.67 | APP (0.42) | — | |
| SCHEMBL20150081 | 0.67 | TP53 (0.35) | — | |
| SCHEMBL11624680 | 0.66 | IDO1 (0.53) | — | |
| SCHEMBL4098897 | 0.66 | IDO1 (0.53) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6030975-A | ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-29 | — | — | US | disclosed |
| US-5840722-A | ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-24 | — | — | US | disclosed |
| US-5661106-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-26 | — | — | US | disclosed |