⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1083222 | 0.93 | LPAR3 (0.65) | — | |
| SCHEMBL9463317 | 0.91 | LPAR3 (0.69) | — | |
| SCHEMBL5850881 | 0.91 | LPAR3 (0.69) | — | |
| SCHEMBL11271632 | 0.87 | CYP3A4 (0.64) | — | |
| SCHEMBL9422627 | 0.85 | — | — | |
| SCHEMBL7278371 | 0.85 | — | — | |
| SCHEMBL5880403 | 0.82 | LPAR3 (0.50) | — | |
| Chloromethane SCHEMBL11360800 | 0.81 | CYP3A4 (0.58) | — | |
| SCHEMBL6626611 | 0.81 | — | — | |
| SCHEMBL26559 | 0.80 | CYP3A4 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3890749-A1 | CDK9 INHIBITORS AND POLYMORPHS THEREOF FOR USE AS AGENTS FOR TREATMENT OF CANCER | Sumitomo Dainippon Pharma Oncology, Inc. (US) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020117988-A1 | CDK9 INHIBITORS AND POLYMORPHS THEREOF FOR USE AS AGENTS FOR TREATMENT OF CANCER | TOLERO PHARMACEUTICALS, INC. (US) | 2020-06-11 | — | — | WO | disclosed |
| US-8129557-B2 | Phosphonic acid diester derivative and method for producing thereof | Nagai, Kazuhiro (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20090163725-A1 | PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF | HIRATAKE, GOU (JP) | 2009-06-25 | — | — | US | disclosed |
| EP-0187500-B1 | MONOBACTAMS | THE UPJOHN COMPANY (US) | 1993-04-28 | — | — | EP | disclosed |
| US-4222930-A | VULCANIZABLE RUBBER, SILICEOUS FILLER | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1980-09-16 | — | — | US | disclosed |
| US-4152347-A | REINFORCING AGENTS IN VULCANIZABLE RUBBER MIXTURES WHICH CONTAIN A SILICA FILLER | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-05-01 | — | — | US | disclosed |