SCHEMBL130310

SCHEMBL130310

CCC[CH]C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
ADH1A P07327 3/20 0.35
SHBG P04278 1/20 0.35
ADH1C P00326 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL867699 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL866107 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL868694 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL868579 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL4717621 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL22523 0.97
SCHEMBL866488 0.92
SCHEMBL1482415 0.87 CYP1A2 (0.44) CYP1A2ADH1ASHBGTSHRALDH1A1
SCHEMBL1482398 0.87 CYP1A2 (0.44) CYP1A2ADH1ASHBGTSHRALDH1A1
SCHEMBL891565 0.87 CYP1A2 (0.44) CYP1A2ADH1ASHBGTSHRALDH1A1

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

Appears in 2750 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207253-A1 Inhibitors of CDR1 for Reversal of Azole Drug Resistance in Fungal Infections THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2024-06-27 US claimed
US-20240188441-A1 LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND, ELECTRONIC APPARATUS AND ELECTRONIC DEVICE INCLUDING THE LIGHT-EMITTING DEVICE, AND THE CONDENSED CYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-06 US 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-117377674-A Pyrazolo [1,5-a ] pyrimidine compounds for the treatment of dermatological disorders 大塚制药株式会社 2024-01-09 CN claimed
CN-116848094-A Tertiary amine lipid compounds and uses thereof 华南理工大学 2023-10-03 CN claimed
WO-2022255408-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUND FOR THE TREATMENT OF DERMAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-12-08 WO claimed
WO-2022245951-A1 INHIBITORS OF CDR1 FOR REVERSAL OF AZOLE DRUG RESISTANCE IN FUNGAL INFECTIONS UNM RAINFOREST INNOVATIONS (US) 2022-11-24 WO claimed
CN-110963952-B Onium salt, resist composition and pattern forming method 信越化学工业株式会社 2022-10-21 CN claimed
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN claimed
CN-112300325-B Optical film and method for producing the same 聚纶材料科技(深圳)有限公司 2021-09-07 CN claimed
EP-0284952-A2 Substituted propylamines BAYER AG (DE) 1988-10-05 EP claimed
EP-0259752-A2 Saccharide phosphates, their esters and method for their preparation BAYER AG (DE) 1988-03-16 EP claimed
CN-87103504-A Heterocyclic carboxamide 1987-12-09 CN claimed
EP-0242167-A2 Heterocyclic carboxamides ICI AMERICAS INC. (US) 1987-10-21 EP claimed
EP-0227241-A2 Medicinal indole and indazole keto sulphone derivatives ZENECA INC. (US) 1987-07-01 EP claimed
EP-0220066-A2 Carboxamide derivatives ICI AMERICAS INC. (US) 1987-04-29 EP claimed
EP-0199543-A2 Heterocyclic amide derivatives ICI AMERICAS INC. (US) 1986-10-29 EP claimed
CN-85108623-A Preparation has the novel method of the heterocycleamide of medical active 1986-07-30 CN claimed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP claimed
EP-0013914-B1 PIPERAZINYL-IMIDAZO(1,2-A)PYRAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1982-12-15 EP claimed