⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8430715 | 0.88 | IKBKB (0.32) | — | |
| SCHEMBL8430781 | 0.86 | IKBKB (0.33) | — | |
| SCHEMBL8428371 | 0.84 | MAPT (0.39) | — | |
| SCHEMBL8428466 | 0.74 | MAPT (0.36) | — | |
| SCHEMBL8432130 | 0.73 | PDE4B (0.37) | — | |
| SCHEMBL8428336 | 0.72 | GCGR (0.31) | — | |
| SCHEMBL8428247 | 0.69 | KMT2A (0.36) | — | |
| SCHEMBL6505678 | 0.66 | NR1H2 (0.41) | — | |
| SCHEMBL8428327 | 0.65 | PDE4B (0.38) | — | |
| SCHEMBL8428613 | 0.65 | RXRA (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5965619-A | ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION | CELL PATHWAYS INC. (US) | 1999-10-12 | — | — | US | disclosed |