⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8717985 | 0.98 | — | — | |
| SCHEMBL658195 | 0.77 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8713580 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL660367 | 0.69 | EZH2 (0.32) | — | |
| SCHEMBL9571586 | 0.69 | EZH2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8717007 | 0.68 | EZH2 (0.30) | — | |
| SCHEMBL9697512 | 0.67 | — | — | |
| SCHEMBL13542489 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL8876889 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL8878550 | 0.66 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5770772-A | 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-23 | — | — | US | disclosed |
| US-5594154-A | 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| US-5478844-A | Method of using aminocoumaran derivatives for treating cerebrovascular diseases | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-12-26 | — | — | US | disclosed |
| EP-0483772-B1 | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-09-13 | — | — | EP | disclosed |
| US-5376681-A | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-27 | — | — | US | disclosed |
| EP-0483772-A1 | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-05-06 | — | — | EP | disclosed |