⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9410892 | 1.00 | — | — | |
| SCHEMBL18372213 | 0.64 | — | — | |
| SCHEMBL8058823 | 0.62 | — | — | |
| SCHEMBL3157093 | 0.61 | — | — | |
| SCHEMBL14562349 | 0.61 | — | — | |
| SCHEMBL8074454 | 0.61 | — | — | |
| SCHEMBL7712637 | 0.61 | — | — | |
| SCHEMBL1498194 | 0.61 | — | — | |
| SCHEMBL1389436 | 0.60 | — | — | |
| SCHEMBL11608111 | 0.57 | — | — |
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-1094030-A | Diaminobenzoic acid derivatives | CIBA GEIGY AG (CH) | 1994-10-26 | — | — | CN | disclosed |
| EP-0600831-A1 | Phtalazinon derivatives | CIBA-GEIGY AG (CH) | 1994-06-08 | — | — | EP | disclosed |
| EP-0600832-A1 | Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors | CIBA-GEIGY AG (CH) | 1994-06-08 | — | — | EP | disclosed |
| EP-0600830-A1 | Substituted derivatives of diaminophthalimide as protein-tyrosine kinase inhibitors | CIBA-GEIGY AG (CH) | 1994-06-08 | — | — | EP | disclosed |
| US-5238937-A | PYRIDAZINY OR OXODIHYDROPYRIDAZINYL CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT (DE) | 1993-08-24 | — | — | US | disclosed |
| US-5036068-A | Cardiovascular disorders | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-30 | — | — | US | disclosed |