SCHEMBL68868

SCHEMBL68868

CC12CCC(CC1)C2

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
Ammonia Solution, Strong SCHEMBL27505052 0.97
SCHEMBL1164719 0.89
SCHEMBL17098852 0.87
SCHEMBL17098246 0.87 ALDH1A1 (0.34)
Bicarbonate SCHEMBL3420781 0.87 LMNA (0.38)
SCHEMBL27852613 0.84
SCHEMBL2598046 0.84
SCHEMBL8747522 0.83 TSHR (0.38)
SCHEMBL6591834 0.81 GRIN1 (0.33)
SCHEMBL9262881 0.81

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 1930 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894296-B Isocyanate composition, modified isocyanate, polyurethane resin and optical material 万华化学集团股份有限公司 2025-04-25 CN claimed
US-20250092199-A1 POLYAMIDE COMPOSITION BOSTIK SA (FR) 2025-03-20 US claimed
WO-2024106657-A1 COMPOSITION FOR ORGANIC LIGHT-EMITTING ELEMENT ENCAPSULATION AND ORGANIC LIGHT-EMITTING DISPLAY DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2024-05-23 WO claimed
WO-2024106656-A1 COMPOSITION FOR ENCAPSULATING ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING DISPLAY DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2024-05-23 WO claimed
WO-2024103321-A1 ISOCYANATE COMPOSITION, MODIFIED ISOCYANATE, POLYURETHANE RESIN AND OPTICAL MATERIAL 万华化学集团股份有限公司 2024-05-23 WO claimed
WO-2024106658-A1 COMPOSITION FOR ORGANIC LIGHT-EMITTING ELEMENT ENCAPSULATION AND ORGANIC LIGHT-EMITTING DISPLAY DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2024-05-23 WO claimed
CN-117980823-A Composition for forming resist underlayer film 日产化学株式会社 2024-05-03 CN claimed
EP-4347597-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUND FOR THE TREATMENT OF DERMAL DISORDERS Otsuka Pharmaceutical Co., Ltd. (JP) 2024-04-10 EP claimed
CN-117769576-A Polyamide composition 博斯蒂克股份公司 2024-03-26 CN claimed
US-20230365752-A1 POLYAMIDE COMPOSITION BOSTIK SA (FR) 2023-11-16 US claimed
EP-0260817-A1 Quinazolinediones and pyridopyrimidinediones PFIZER INC. (US) 1988-03-23 EP claimed
EP-0220786-A2 Substituted quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1987-05-06 EP claimed
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US claimed
EP-0174956-A1 SOFT -g(b)-ADRENERGIC BLOCKING AGENTS. BODOR NICHOLAS S 1986-03-26 EP claimed
WO-1985004168-A1 SOFT beta-ADRENERGIC BLOCKING AGENTS BODOR NICHOLAS S 1985-09-26 WO claimed
US-4490374-A CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1984-12-25 US claimed
US-4180575-A FUNGICIDES, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1979-12-25 US claimed
US-4088772-A TRANQUILIZERS, ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-05-09 US claimed
US-3980651-A Water-insoluble barbituric acid-substituted naphthalactam dyestuff BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US claimed
US-3931171-A FROM A 1,3-DIOXINONE-(4) AND AN ISOCYANATE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed