⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27730518 | 0.78 | — | — | |
| 2,4-Dichlorofluorobenzene SCHEMBL29481133 | 0.77 | — | — | |
| SCHEMBL27881232 | 0.77 | — | — | |
| 2,4-Dichlorofluorobenzene SCHEMBL530773 | 0.77 | — | — | |
| SCHEMBL17552697 | 0.76 | — | — | |
| SCHEMBL6206442 | 0.74 | — | — | |
| SCHEMBL167260 | 0.74 | — | — | |
| SCHEMBL29415159 | 0.74 | — | — | |
| 2,4-Dichlorofluorobenzene SCHEMBL28533905 | 0.74 | TP53 (0.55) | — | |
| SCHEMBL14128374 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1964975-B | Hiv integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-11-30 | — | — | CN | disclosed |
| CN-101796027-A | N-piperidin-4-ylmethyl-amide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH AS | 2010-08-04 | — | — | CN | disclosed |
| CN-100368409-C | 8-azabicyclo [3.2.1] octane derivatives and their use for the preparation of monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH AS (DK) | 2008-02-13 | — | — | CN | disclosed |
| CN-1964975-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2007-05-16 | — | — | CN | disclosed |
| CN-1798745-A | Novel 8-aza-bicyclo not 3.2.1|octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH AS (DK) | 2006-07-05 | — | — | CN | disclosed |