⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4948789 | 0.78 | TP53 (0.33) | — | |
| SCHEMBL8440317 | 0.76 | TAAR1 (0.39) | — | |
| SCHEMBL10830809 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL5490607 | 0.71 | — | — | |
| SCHEMBL27999889 | 0.70 | ALDH1A1 (0.48) | — | |
| SCHEMBL8894834 | 0.68 | — | — | |
| SCHEMBL28035143 | 0.67 | CYP3A4 (0.39) | — | |
| SCHEMBL1290396 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL1004018 | 0.66 | CYP3A4 (0.59) | — | |
| SCHEMBL10831008 | 0.66 | — | — |
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-8481327-B2 | Methods for using congeneric, chlorinated, brominated and/or iodised, fluorinated aromatic standard compounds having two benzol rings | CHIRON AS (NO) | 2013-07-09 | — | — | US | disclosed |
| US-20070298501-A1 | Congeneric, Chlorinated, Brominated And/Or Iodised, Fluorinated Aromatic Compounds Comprising Two Benzol Rings In Their Basic Structure, Method For Their Production And Use Thereof | CHIRON AS (NO) | 2007-12-27 | — | — | US | disclosed |
| US-4633026-A | DEHYDROHALOGENATION OF RING-HALOGENATED ALPHA- OR BETA-BROMOETHYL BENZENES WITH STRONG BASE, POLYOXYETHYLENE GLYCOL CATALYST, AMINE POLYMERIZATION INHIBITOR | ETHYL CORPORATION (US) | 1986-12-30 | — | — | US | disclosed |