⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19101359 | 0.88 | — | — | |
| SCHEMBL22593005 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL20848541 | 0.78 | NR1I2 (0.33) | — | |
| SCHEMBL21654856 | 0.78 | NR1I2 (0.33) | — | |
| SCHEMBL13744445 | 0.69 | CYP1A2 (0.35) | — | |
| SCHEMBL13259739 | 0.67 | ESR1 (0.30) | — | |
| SCHEMBL19400985 | 0.67 | PSEN1 (0.32) | — | |
| SCHEMBL26771043 | 0.65 | CYP1A2 (0.33) | — | |
| SCHEMBL19003562 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL19003561 | 0.64 | KCNA5 (0.33) | — |
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-20230365592-A1 | COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS | AGIOS PHARMACEUTICALS, INC. | 2023-11-16 | — | — | US | disclosed |
| WO-2017165204-A1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2017-09-28 | — | — | WO | disclosed |
| WO-2017106226-A1 | HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | WO | disclosed |