⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12343969 | 0.86 | ADRB2 (0.37) | — | |
| SCHEMBL17395742 | 0.81 | — | — | |
| SCHEMBL12341245 | 0.76 | — | — | |
| SCHEMBL14907294 | 0.75 | — | — | |
| SCHEMBL6155343 | 0.75 | — | — | |
| SCHEMBL14907190 | 0.74 | CRBN (0.34) | — | |
| Hydrochloric Acid SCHEMBL11080400 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27509464 | 0.73 | NOS3 (0.32) | — | |
| SCHEMBL27641549 | 0.71 | — | — | |
| Propanol SCHEMBL27533077 | 0.70 | CNR2 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9221841-B2 | Mitotic kinesin inhibitors and methods of use thereof | ARRAY BIOPHARMA INC. (US) | 2015-12-29 | — | — | US | disclosed |
| US-20150191490-A1 | MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2015-07-09 | — | — | US | disclosed |
| US-8580828-B2 | Mitotic kinesin inhibitors and methods of use thereof | ARRAY BIOPHARMA INC. (US) | 2013-11-12 | — | — | US | disclosed |
| US-20130109656-A1 | MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA, INC. | 2013-05-02 | — | — | US | disclosed |