⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11622190 | 0.77 | CYP1A2 (0.38) | — | |
| SCHEMBL1742051 | 0.74 | — | — | |
| SCHEMBL5924251 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL10022876 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL5924227 | 0.68 | — | — | |
| SCHEMBL1004976 | 0.68 | ALDH1A1 (0.52) | — | |
| SCHEMBL5924521 | 0.68 | TP53 (0.41) | — | |
| SCHEMBL3630277 | 0.68 | MAPK1 (0.36) | — | |
| SCHEMBL3877379 | 0.67 | CYP1A2 (0.47) | — | |
| SCHEMBL19628798 | 0.67 | IRAK4 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6215016-B1 | HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA | TORAY INDUSTRIES, INC. (JP) | 2001-04-10 | — | — | US | disclosed |
| EP-0841063-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1998-05-13 | — | — | EP | disclosed |
| US-5616613-A | ANTITUMOR AGENTS; ISOMERS; STABLE IN WATER, SOLUBLE FOR INTRAVENOUS INJECTION | TORAY INDUSTRIES, INC. (JP) | 1997-04-01 | — | — | US | disclosed |
| EP-0704453-A1 | NOVEL PLATINUM (II) COMPLEX AND REMEDY FOR MALIGNANT TUMOR | TORAY INDUSTRIES, INC. (JP) | 1996-04-03 | — | — | EP | disclosed |