⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6003429 | 0.84 | AXL (0.30) | — | |
| SCHEMBL5675318 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL6003760 | 0.67 | REV1 (0.30) | — | |
| SCHEMBL10797791 | 0.67 | — | — | |
| SCHEMBL7171640 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL17156504 | 0.67 | MEN1 (0.34) | — | |
| SCHEMBL9162427 | 0.65 | DCPS (0.35) | — | |
| SCHEMBL1002200 | 0.65 | MEN1 (0.36) | — | |
| SCHEMBL10027671 | 0.65 | — | — | |
| SCHEMBL8581211 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118767991-A | Catalyst, preparation method thereof and application of catalyst in cyclododecanone synthesis | 万华化学集团股份有限公司 | 2024-10-15 | — | — | CN | claimed |
| CN-118767991-A | Catalyst, preparation method thereof and application of catalyst in cyclododecanone synthesis | 万华化学集团股份有限公司 | 2024-10-15 | — | — | CN | disclosed |
| EP-1973897-B1 | Substituted pyrimidine derivatives useful in the treatment of cancer and other disorders | BAYER IP GMBH (DE) | 2014-05-21 | — | — | EP | disclosed |
| US-8580798-B2 | Substituted pyrimidine derivatives useful in the treatment of cancer and other disorders | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-11-12 | — | — | US | disclosed |
| US-20100081812-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2010-04-01 | — | — | US | disclosed |
| EP-1973897-A2 | SUBSTITUTED PYRYMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS | Bayer HealthCare AG (DE) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007075650-A2 | SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS | BAYER HEALTHCARE AG (DE) | 2007-07-05 | — | — | WO | disclosed |