SCHEMBL303618

SCHEMBL303618

[CH2]CCCc1cccc2c1ccc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.50
ALDH1A1 P00352 1/20 0.43
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
PAX8 Q06710 1/20 0.38
MTNR1A P48039 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NQO2 P16083 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL303467 0.95 HPRT1 (0.48) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL303912 0.93 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL303188 0.93 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL303699 0.93 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL304267 0.93 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL302632 0.93 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL303031 0.93 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL304226 0.93 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL303588 0.93 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL302633 0.93 HPRT1 (0.47) HPRT1ALDH1A1CYP2A6TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
CN-117551696-A Composition for transfecting nucleic acid molecules into cells comprising triazole compounds grafted onto cationic polymers and uses thereof 宝利普拉斯生物转染公司 2024-02-13 CN disclosed
CN-116783168-A Electrochromic compounds and optical articles comprising the same 依视路国际公司 2023-09-19 CN disclosed
CN-114901316-A Composition for transfecting nucleic acid molecules into cells comprising triazole compound grafted to cationic polymer and use thereof 宝利普拉斯生物转染公司 2022-08-12 CN disclosed
CN-114514039-A Composition for transfecting a nucleic acid molecule into a cell comprising a heterocyclic compound grafted to a cationic polymer and uses thereof 宝利普拉斯生物转染公司 2022-05-17 CN disclosed
CN-104271571-B Tetrazolinone compound and use thereof 住友化学株式会社 2017-07-07 CN disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-1535889-A1 METHOD OF DEUTERATING AROMATIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-06-01 EP disclosed
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP disclosed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP disclosed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP disclosed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US disclosed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO disclosed
US-5554710-A POLYSILANES AND POLYCARBOSILANES, VAPOR PHASE DOPING WITH FERRIC CHLORIDE SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-09-10 US disclosed