⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24026429 | 0.92 | PAOX (0.41) | — | |
| SCHEMBL18819436 | 0.90 | PAOX (0.44) | — | |
| SCHEMBL22794596 | 0.90 | PAOX (0.44) | — | |
| SCHEMBL14207560 | 0.83 | — | — | |
| SCHEMBL18768809 | 0.80 | LMNA (0.30) | — | |
| SCHEMBL23787475 | 0.80 | LMNA (0.30) | — | |
| SCHEMBL18723239 | 0.76 | — | — | |
| SCHEMBL6951567 | 0.76 | — | — | |
| SCHEMBL6522673 | 0.76 | — | — | |
| SCHEMBL23844952 | 0.72 | CES2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210380605-A1 | PYRROLOBENZODIAZEPINE CONJUGATES | MEDIMMUNE LIMITED (GB) | 2021-12-09 | — | — | US | disclosed |
| US-8796460-B2 | Compounds for inhibiting KSP kinesin activity | Mercky Sharp & Dohme Corp. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20120070370-A1 | SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-03-22 | — | — | US | disclosed |
| US-20110150757-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME CORP. | 2011-06-23 | — | — | US | disclosed |
| US-20110123435-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME LLC | 2011-05-26 | — | — | US | disclosed |