⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8551376 | 0.97 | — | — | |
| SCHEMBL25983085 | 0.89 | CA2 (0.33) | — | |
| SCHEMBL7162126 | 0.88 | — | — | |
| SCHEMBL10714492 | 0.88 | — | — | |
| SCHEMBL7160688 | 0.85 | — | — | |
| SCHEMBL1488723 | 0.81 | — | — | |
| SCHEMBL396162 | 0.75 | — | — | |
| SCHEMBL7054792 | 0.72 | TP53 (0.35) | — | |
| SCHEMBL27537938 | 0.71 | — | — | |
| SCHEMBL15091969 | 0.71 | — | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070142345-A1 | Steroids for cancer treatment | INNOVENTUS PROJECT AB (SE) | 2007-06-21 | — | — | US | claimed |
| EP-1716166-A2 | 17-METHYLENE- OR 17-SPIRO-CYCLOPROPANE 7-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE DERIVATIVES WITH ANTI-ESTROGENIC ACTIVITY | Innoventus Project AB (SE) | 2006-11-02 | — | — | EP | claimed |
| WO-2005077968-A2 | 17-METHYLENE-OR 17 - SPIRO - CYCLOPROPANE 7 - SUBSTITUTED ESTRA - 1, 3, 5 (10) - TRIENE DERIVATIVES WITH ANTI - ESTROGENIC ACTIVITY | INNOVENTUS PROJECT AB (SE) | 2005-08-25 | — | — | WO | claimed |
| EP-3514155-B1 | HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME | SUMITOMO CHEMICAL CO (JP) | 2021-06-09 | — | — | EP | disclosed |
| US-10721929-B2 | Heterocyclic compound and harmful-arthropod-controlling agent containing same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2020-07-28 | — | — | US | disclosed |
| US-20190223436-A1 | HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2019-07-25 | — | — | US | disclosed |
| EP-3514155-A1 | HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME | Sumitomo Chemical Company, Limited (JP) | 2019-07-24 | — | — | EP | disclosed |
| US-9790221-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2017-10-17 | — | — | US | disclosed |
| US-20160145252-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-05-26 | — | — | US | disclosed |
| US-20130310373-A1 | PYRIMIDINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2013-11-21 | — | — | US | disclosed |
| US-8524727-B2 | Pyrimidine compound | ASTELLAS PHARMA INC. (JP) | 2013-09-03 | — | — | US | disclosed |
| WO-1993006124-A1 | 11β-SUBSTITUTED 14,17-ETHANOESTRATRIENES, PROCESS FOR PREPARING THESE COMPOUNDS AND THEIR USE FOR PREPARING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-04-01 | — | — | WO | disclosed |
| US-5021414-A | Antiestrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-06-04 | — | — | US | disclosed |
| US-4904661-A | ANTIESTROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-27 | — | — | US | disclosed |
| US-4732912-A | ANTIESTROGENS, ANTITUMOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-03-22 | — | — | US | disclosed |
| EP-0124369-B1 | PHENOL DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-06-24 | — | — | EP | disclosed |
| US-4659516-A | ANTIESTROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-04-21 | — | — | US | disclosed |
| EP-0174769-A1 | Antifungal azole compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-03-19 | — | — | EP | disclosed |
| EP-0138504-A2 | Steroid derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-04-24 | — | — | EP | disclosed |
| EP-0124369-A1 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-07 | — | — | EP | disclosed |