SCHEMBL3416673

SCHEMBL3416673

CCCCCCCCCCC(N)(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.46
FDPS P14324 2/20 0.46
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
DNM1 Q05193 8/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.41
GGPS1 O95749 1/20 0.39

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
SCHEMBL6780405 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL9789212 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL614216 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL770631 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL5450759 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL589417 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL612403 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL1514302 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL3414560 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL3414534 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402705-A Polyether amine and preparation method and application thereof 中国石油化工股份有限公司 2021-09-17 CN claimed
CN-113402705-B Polyether amine and preparation method and application thereof 中国石油化工股份有限公司 2023-05-05 CN disclosed
CN-112592459-B Polyisocyanate composition, coating composition and coated substrate 旭化成株式会社 2023-04-07 CN disclosed
CN-111741991-B Polyisocyanate composition, coating composition and coated substrate 旭化成株式会社 2022-07-01 CN disclosed
CN-113402705-A Polyether amine and preparation method and application thereof 中国石油化工股份有限公司 2021-09-17 CN disclosed
EP-3878838-A1 POLYISOCYANATE COMPOSITION, COATING COMPOSITION AND COATING BASE MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2021-09-15 EP disclosed
CN-109843955-B Polyisocyanate composition 旭化成株式会社 2021-08-06 CN disclosed
CN-112996771-A Polyisocyanate composition, coating composition and coated substrate 旭化成株式会社 2021-06-18 CN disclosed
CN-112592459-A Polyisocyanate composition, coating composition and coated substrate 旭化成株式会社 2021-04-02 CN disclosed
EP-3527596-B1 POLYISOCYANATE COMPOSITION ASAHI CHEMICAL IND (JP) 2021-01-27 EP disclosed
US-20040082465-A1 Catalyst and process for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2004-04-29 US disclosed
EP-1382624-A1 Catalyst and process for producing a rigid polyurethane foam Tosoh Corporation (JP) 2004-01-21 EP disclosed
EP-1109882-B1 LUBRICATING OIL COMPOSITION USEFUL IN HYDRAULIC FLUIDS SHELL INT RESEARCH (NL) 2002-07-17 EP disclosed
EP-1109882-A1 LUBRICATING OIL COMPOSITION USEFUL IN HYDRAULIC FLUIDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-06-27 EP disclosed
WO-2000011122-A1 LUBRICATING OIL COMPOSITION USEFUL IN HYDRAULIC FLUIDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2000-03-02 WO disclosed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
US-4543411-A RUTHENIUM CONTAINING CATALYST MIXED WITH PHOSPHONIUM SALT TEXACO INC. (US) 1985-09-24 US disclosed
US-4438287-A Preparation of alcohols UOP INC. (US) 1984-03-20 US disclosed
US-4292196-A Catalyst recovery UOP INC. (US) 1981-09-29 US disclosed