SCHEMBL910279

SCHEMBL910279

CC1CC(C)(C)C1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4413629 0.85 ESR1 (0.45)
SCHEMBL598990 0.85 ALDH1A1 (0.39)
SCHEMBL3783239 0.85 ALDH1A1 (0.39)
SCHEMBL597801 0.85 ALDH1A1 (0.39)
SCHEMBL3783240 0.85 ALDH1A1 (0.39)
SCHEMBL24980463 0.85 APLNR (0.35)
SCHEMBL18742202 0.80 ESR1 (0.31)
SCHEMBL15136162 0.75
SCHEMBL18855248 0.75
SCHEMBL20381172 0.75 ALDH1A1 (0.35)

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970485-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2024-04-30 US claimed
US-11964968-B2 Compounds useful for inhibiting RET kinase ELI LILLY AND COMPANY (US) 2024-04-23 US claimed
US-20230312544-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE LOXO ONCOLOGY, INC. 2023-10-05 US claimed
US-20230265085-A1 RET KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-08-24 US claimed
US-11697647-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2023-07-11 US claimed
US-11613533-B2 Compounds useful for inhibiting RET kinase ELI LILLY AND COMPANY (US) 2023-03-28 US claimed
EP-4143184-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE Eli Lilly and Company (US) 2023-03-08 EP claimed
US-20220144816-A1 RET KINASE INHIBITORS EVOTEC INTERNATIONAL GMBH (DE) 2022-05-12 US claimed
US-20210363140-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE LOXO ONCOLOGY, INC. 2021-11-25 US claimed
EP-3907231-A1 SELECTIVE INHIBITORS OF ALPHA2-CONTAINING ISOFORMS OF NA,K-ATPASE AND USE THEREOF FOR REDUCING INTRAOCULAR PRESSURE Yeda Research and Development Co., Ltd. (IL) 2021-11-10 EP claimed
WO-2021222017-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE ELI LILLY AND COMPANY (US) 2021-11-04 WO claimed
EP-3325494-B1 SELECTIVE INHIBITORS OF ALPHA2-CONTAINING ISOFORMS OF NA,K-ATPASE AND USE THEREOF FOR REDUCING INTRAOCULAR PRESSURE YEDA RES & DEV (IL) 2020-12-30 EP claimed
US-10668094-B2 Selective inhibitors of Alpha2-containing isoforms of Na,K-ATPase and use thereof for reduction of intraocular pressure YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-06-02 US claimed
US-20180207189-A1 SELECTIVE INHIBITORS OF Alpha2-CONTAINING ISOFORMS OF Na,K-ATPase AND USE THEREOF FOR REDUCTION OF INTRAOCULAR PRESSURE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-07-26 US claimed
EP-3325494-A1 SELECTIVE INHIBITORS OF Alpha2-CONTAINING ISOFORMS OF Na,K-ATPase AND USE THEREOF FOR REDUCTION OF INTRAOCULAR PRESSURE Yeda Research and Development Co., Ltd. (IL) 2018-05-30 EP claimed
WO-2017013648-A1 SELECTIVE INHIBITORS OF Alpha2-CONTAINING ISOFORMS OF Na,K-ATPase AND USE THEREOF FOR REDUCTION OF INTRAOCULAR PRESSURE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-01-26 WO claimed
WO-2017013637-A1 SELECTIVE INHIBITORS OF ALPHA2-CONTAINING ISOFORMS OF NA,K-ATPASE AND USE THEREOF FOR REDUCTION OF INTRAOCULAR PRESSURE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-01-26 WO claimed
US-11970485-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2024-04-30 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed