⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19385465 | 0.72 | DPP4 (0.30) | — | |
| SCHEMBL19385476 | 0.70 | — | — | |
| SCHEMBL12199642 | 0.69 | MAPK1 (0.41) | — | |
| SCHEMBL19385603 | 0.69 | CTSK (0.41) | — | |
| SCHEMBL19385540 | 0.68 | CTSK (0.43) | — | |
| SCHEMBL21994867 | 0.66 | — | — | |
| SCHEMBL5324380 | 0.65 | CTSK (0.46) | — | |
| SCHEMBL28632681 | 0.65 | CHRNB2 (0.41) | — | |
| SCHEMBL19385529 | 0.65 | CTSK (0.48) | — | |
| SCHEMBL3999986 | 0.63 | CHRM1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3484464-B1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME (US) | 2020-10-28 | — | — | EP | disclosed |
| US-10442778-B2 | N1-phenylpropane-1,2-diamine compounds with selective activity in voltage-gated sodium channels | MERCK SHARP & DOHME CORP. (US) | 2019-10-15 | — | — | US | disclosed |
| EP-3484464-A1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | Merck Sharp & Dohme Corp. (US) | 2019-05-22 | — | — | EP | disclosed |
| US-20190092738-A1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2019-03-28 | — | — | 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 |